Quinolines and derivatives

8-Hydroxyquinoline (Certified ACS), Fisher Chemical™

8-Hydroxyquinoline (Certified ACS), Fisher Chemical™

CAS: 148-24-3 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006807 InChI Key: MCJGNVYPOGVAJF-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline, 8-oxyquinoline, 8-quinol, 8-quinolinol, bioquin, oxine, oxychinolin, oxyquinoline, phenopyridine, quinophenol PubChem CID: 1923 ChEBI: CHEBI:48981 IUPAC Name: quinolin-8-ol SMILES: OC1=C2N=CC=CC2=CC=C1

Ethidium Bromide, Fisher BioReagents

Ethidium Bromide, Fisher BioReagents

CAS: 1239-45-8 Molecular Formula: C21H20BrN3 Molecular Weight (g/mol): 394.32 MDL Number: MFCD00011724 InChI Key: ZMMJGEGLRURXTF-UHFFFAOYSA-N Synonym: 2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide, 2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide, 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide, 3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide, dromilac, etbr, ethidium bromide, ethydium bromide, homidium bromide, unii-059nuo2z1l PubChem CID: 14710 ChEBI: CHEBI:4883 IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide SMILES: [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12

Propidium Iodide, MP Biomedicals

Propidium Iodide, MP Biomedicals

CAS: 25535-16-4 Molecular Formula: C27H34I2N4 Molecular Weight (g/mol): 668.406 InChI Key: XJMOSONTPMZWPB-UHFFFAOYSA-M PubChem CID: 104981 ChEBI: CHEBI:51240 IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]

8-Hydroxyquinoline (White to Light-Buff Needles or Powder), Fisher BioReagents

8-Hydroxyquinoline (White to Light-Buff Needles or Powder), Fisher BioReagents

CAS: 148-24-3 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006807 InChI Key: MCJGNVYPOGVAJF-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline, 8-oxyquinoline, 8-quinol, 8-quinolinol, bioquin, oxine, oxychinolin, oxyquinoline, phenopyridine, quinophenol PubChem CID: 1923 ChEBI: CHEBI:48981 IUPAC Name: quinolin-8-ol SMILES: OC1=C2N=CC=CC2=CC=C1

Tacrine hydrochloride, Thermo Scientific™

Tacrine hydrochloride, Thermo Scientific™

CAS: 1684-40-8 Molecular Formula: C13H15ClN2 Molecular Weight (g/mol): 234.73 MDL Number: MFCD00150067 InChI Key: ZUFVXZVXEJHHBN-UHFFFAOYSA-N Synonym: 1,2,3,4-tetrahydro-9-acridinamine hydrochloride, 1,2,3,4-tetrahydroacridin-9-amine hydrochloride, 9-amino-1,2,3,4-tetrahydroacridine hydrochloride, ccris 7250, hydroaminacrine, tacrine hcl, tacrine hydrochloride, tacrine.hcl, tenakrin, unii-4966rng0bu PubChem CID: 2723754 IUPAC Name: hydrogen 1,2,3,4-tetrahydroacridin-9-amine chloride SMILES: [H+].[Cl-].NC1=C2C=CC=CC2=NC2=C1CCCC2

Quinine sulfate dihydrate, specified according to the requirements of USP, Thermo Scientific™

Quinine sulfate dihydrate, specified according to the requirements of USP, Thermo Scientific™

CAS: 6119-70-6 Molecular Formula: C40H54N4O10S Molecular Weight (g/mol): 782.95 MDL Number: MFCD00150792,MFCD00150792,MFCD00150790 InChI Key: ZHNFLHYOFXQIOW-LRXYSQQVSA-N PubChem CID: 134129495 IUPAC Name: (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate SMILES: O.O.OS(O)(=O)=O.COC1=CC=C2N=CC=C([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)C2=C1.COC1=CC=C2N=CC=C([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)C2=C1

Ciprofloxacin Hydrochloride Monohydrate 98.0+%, TCI America™

Ciprofloxacin Hydrochloride Monohydrate 98.0+%, TCI America™

CAS: 86393-32-0 Molecular Formula: C17H21ClFN3O4 Molecular Weight (g/mol): 385.82 MDL Number: MFCD00242856 InChI Key: ARPUHYJMCVWYCZ-UHFFFAOYSA-N Synonym: belmacina, ceprimax, ciflosin, ciloxan, cipro, ciprocinal, ciprofloxacin hydrochloride monohydrate, floxacipron, oftacilox, proquin xr PubChem CID: 62998 ChEBI: CHEBI:59936 IUPAC Name: hydrogen 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrate chloride SMILES: [H+].O.[Cl-].OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O

Acriflavine hydrochloride, Thermo Scientific™

Acriflavine hydrochloride, Thermo Scientific™

CAS: 69235-50-3 Molecular Formula: C27H28Cl4N6 Molecular Weight (g/mol): 578.36 MDL Number: MFCD00069039 InChI Key: VWXAJKFSYJFBIW-UHFFFAOYSA-N Synonym: 3,6-diamino-10-methylacridine proflavine trihydrochloride chloride, acrifiavine hydrochloride, acriflavinehydrochloride mixtureof3,6-diamino-10-methylacridiniumchloridehydrochlorideand3,6-diaminoacridinehydrochloride, unii-1s73vw819c PubChem CID: 53393742 IUPAC Name: acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochloride SMILES: Cl.Cl.Cl.[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12

8-Quinolinecarboxylic Acid 98.0+%, TCI America™

8-Quinolinecarboxylic Acid 98.0+%, TCI America™

CAS: 86-59-9 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD00047619 InChI Key: QRDZFPUVLYEQTA-UHFFFAOYSA-N Synonym: 8-carboxyquinoline, 8-quinlinecarboxylic acid, 8-quinoline carboxylic acid, 8-quinoline-carboxylic acid, 8-quinolinecarboxylic acid, 8-quinolinecarboxylicacid, acmc-209qal, ccris 6956, pubchem5868, unii-5xw75tfd94 PubChem CID: 66582 IUPAC Name: quinoline-8-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)N=CC=C2

Acridine, 97%, Thermo Scientific™

Acridine, 97%, Thermo Scientific™

CAS: 260-94-6 Molecular Formula: C13H9N Molecular Weight (g/mol): 179.222 MDL Number: MFCD00005025 InChI Key: DZBUGLKDJFMEHC-UHFFFAOYSA-N Synonym: 10-azaanthracene, 2,3,5,6-dibenzopyridine, 2,3-benzoquinoline, 9-azaanthracene, acrydine, akridin, akridin czech, benzo b quinoline, dibenzo b,e pyridine PubChem CID: 9215 ChEBI: CHEBI:36420 IUPAC Name: acridine SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=N2

MilliporeSigma™ Propidium Iodide Solution, Calbiochem™,

MilliporeSigma™ Propidium Iodide Solution, Calbiochem™,

CAS: 25535-16-4 Molecular Formula: C27H34I2N4 Molecular Weight (g/mol): 668.406 InChI Key: XJMOSONTPMZWPB-UHFFFAOYSA-M Synonym: 3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide, 3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide, phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide, propidium diiodide, propidium iodide, unii-tp416o228t PubChem CID: 104981 ChEBI: CHEBI:51240 IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]

Mefloquine hydrochloride, Thermo Scientific™

Mefloquine hydrochloride, Thermo Scientific™

CAS: 51773-92-3 Molecular Formula: C17H17ClF6N2O Molecular Weight (g/mol): 414.78 MDL Number: MFCD00797519,MFCD00797519 InChI Key: WESWYMRNZNDGBX-UHFFFAOYNA-N Synonym: +-mefloquine hydrochloride, as-rel-a-2r-2-piperidinyl-2,8-bis trifluoromethyl-4-quinolinemethanol monohydrochloride, mefloquine hcl, r*,s*-2,8-bis-trifluoromethyl-quinolin-4-yl-piperidin-2-yl-methanol hydrochloride, r-2,8-bis trifluoromethyl quinolin-4-yl 2s-piperidin-2-yl methanol hydrochloride, r-2,8-bis trifluoromethyl quinolin-4-yl s-piperidin-2-yl methanol hydrochloride, r-2,8-bis trifluoromethyl quinolin-4-yl-2s-piperidin-2-yl methanol;hydrochloride, r-2,8-bis trifluoromethyl-4-quinolinyl 2s-2-piperidinyl methanol hydrochloride, s-2,8-bis trifluoromethyl quinolin-4-yl r-piperidin-2-yl methanolhydrochloride, unii-5y9l3636o3 component PubChem CID: 18660697 IUPAC Name: hydrogen [2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol chloride SMILES: [H+].[Cl-].OC(C1CCCCN1)C1=C2C=CC=C(C2=NC(=C1)C(F)(F)F)C(F)(F)F

2-Methyl-8-quinolinol 98.0+%, TCI America™

2-Methyl-8-quinolinol 98.0+%, TCI America™

CAS: 826-81-3 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00006765 InChI Key: NBYLBWHHTUWMER-UHFFFAOYSA-N Synonym: 2-methyl 8-quinolonol, 2-methyl-8-hydroxyquinoline, 2-methyl-8-quinolinol, 2-methyl-quinolin-8-ol, 2-methyloxine, 8-hydroxy-2-methylquinoline, 8-hydroxyqinaldine, 8-hydroxyquinaldine, 8-quinolinol, 2-methyl, hydroxyquinaldine PubChem CID: 13224 IUPAC Name: 2-methylquinolin-8-ol SMILES: CC1=NC2=C(C=CC=C2O)C=C1

Aripiprazole, Thermo Scientific™

Aripiprazole, Thermo Scientific™

CAS: 129722-12-9 Molecular Formula: C23H27Cl2N3O2 Molecular Weight (g/mol): 448.39 InChI Key: CEUORZQYGODEFX-UHFFFAOYSA-N Synonym: abilify, abilify discmelt, abilitat, aripiprazol, aripiprazole, aripiprazole usan, aripiprazolum, aripirazole, discmelt, opc 31 PubChem CID: 60795 ChEBI: CHEBI:31236 IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

9-Oxoacridine-10-acetic Acid 98.0+%, TCI America™

9-Oxoacridine-10-acetic Acid 98.0+%, TCI America™

CAS: 38609-97-1 Molecular Formula: C15H11NO3 Molecular Weight (g/mol): 253.257 MDL Number: MFCD00157050 InChI Key: UOMKBIIXHQIERR-UHFFFAOYSA-N Synonym: 10-(Carboxymethyl)-9(10H)-acridone, 9-Oxo-10(9H)-acridineacetic Acid, Cridanimod PubChem CID: 38072 IUPAC Name: 2-(9-oxoacridin-10-yl)acetic acid SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)O

Dihydroergocristine methanesulfonate, Thermo Scientific™

Dihydroergocristine methanesulfonate, Thermo Scientific™

CAS: 24730-10-7 Molecular Formula: C36H45N5O8S Molecular Weight (g/mol): 707.843 MDL Number: MFCD00153792 InChI Key: SPXACGZWWVIDGR-SPZWACKZSA-N Synonym: 5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate, 9,10-dihydroergocristine methanesulfonate, diertine tn, dihydroergocristine mesilate, dihydroergocristine mesylate, dihydroergocristine methanesulfonate, dihydroergocristine methanesulfonate salt, dihydroergocristinmesilat, ds7cl18uam, unii-ds7cl18uam PubChem CID: 444034 ChEBI: CHEBI:31490 SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O

Ethidium bromide soln., 10mg/ml, Thermo Scientific™

Ethidium bromide soln., 10mg/ml, Thermo Scientific™

CAS: 1239-45-8 Molecular Formula: C21H20BrN3 Molecular Weight (g/mol): 394.32 MDL Number: MFCD00011724 InChI Key: ZMMJGEGLRURXTF-UHFFFAOYSA-N Synonym: 2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide, 2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide, 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide, 3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide, dromilac, etbr, ethidium bromide, ethydium bromide, homidium bromide, unii-059nuo2z1l PubChem CID: 14710 ChEBI: CHEBI:4883 IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide SMILES: [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12

8-Hydroxyquinaldine, 98%, Thermo Scientific™

8-Hydroxyquinaldine, 98%, Thermo Scientific™

CAS: 826-81-3 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00006765 InChI Key: NBYLBWHHTUWMER-UHFFFAOYSA-N Synonym: 2-methyl 8-quinolonol, 2-methyl-8-hydroxyquinoline, 2-methyl-8-quinolinol, 2-methyl-quinolin-8-ol, 2-methyloxine, 8-hydroxy-2-methylquinoline, 8-hydroxyqinaldine, 8-hydroxyquinaldine, 8-quinolinol, 2-methyl, hydroxyquinaldine PubChem CID: 13224 IUPAC Name: 2-methylquinolin-8-ol SMILES: CC1=NC2=C(C=CC=C2O)C=C1

Propidium Iodide, 99%, For HPLC analysis, MP Biomedicals™

Propidium Iodide, 99%, For HPLC analysis, MP Biomedicals™

CAS: 25535-16-4 Molecular Formula: C27H34I2N4 Molecular Weight (g/mol): 668.406 InChI Key: XJMOSONTPMZWPB-UHFFFAOYSA-M Synonym: 3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide, 3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide, phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide, propidium diiodide, propidium iodide, unii-tp416o228t PubChem CID: 104981 ChEBI: CHEBI:51240 IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]

MilliporeSigma™ Dihydroethidium, Calbiochem™,

MilliporeSigma™ Dihydroethidium, Calbiochem™,

CAS: 38483-26-0 Molecular Formula: C21H21N3 Molecular Weight (g/mol): 315.42 InChI Key: XYJODUBPWNZLML-UHFFFAOYSA-N Synonym: 2,7-diamino-10-ethyl-9-phenyl-9,10-dihydrophenanthridine, 2,7-diamino-10-ethyl-9-phenyl-9,10-dihydrophenanthridine, 3,8-diamino-5,6-dihydro-5-ethyl-6-phenylphenanthridine, 3,8-phenanthridinediamine, 5-ethyl-5,6-dihydro-6-phenyl, 3,8-phenanthridinediamine, 5-ethyl-5,6-dihydro-6-phenyl-, +-, 5-ethyl-6-phenyl-5,6-dihydrophenanthridine-3,8-diamine, dihydroethidium, dihydroethidium, bioreagent, suitable for fluorescence hpce, hydroethidine PubChem CID: 128682 IUPAC Name: 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine SMILES: CCN1C(C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N)C4=CC=CC=C4

Ciprofloxacin Hydrochloride, MP Biomedicals™

Ciprofloxacin Hydrochloride, MP Biomedicals™

CAS: 86393-32-0 Molecular Formula: C17H21ClFN3O4 Molecular Weight (g/mol): 385.82 MDL Number: MFCD00242856 InChI Key: ARPUHYJMCVWYCZ-UHFFFAOYSA-N Synonym: Cipro, Ciproxan, 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperzinyl)-3-quinolinecarboxylic acid HCl H2O PubChem CID: 62998 ChEBI: CHEBI:59936 IUPAC Name: hydrogen 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrate chloride SMILES: [H+].O.[Cl-].OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O

7-Aminoquinoline, 97%, Thermo Scientific™

7-Aminoquinoline, 97%, Thermo Scientific™

CAS: 580-19-8 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.17 InChI Key: RZAUIOKDXQWSQE-UHFFFAOYSA-N Synonym: 7-aminequinolin, 7-aminequinoline, 7-amino-quinoline, 7-aminoquinoline, 7-quinolinamine, 7-quinolinamine 9ci, 7-quinolinamine acetate, 7-quinolylamine, ccris 1682, quinoline, 7-amino PubChem CID: 11377 IUPAC Name: quinolin-7-amine SMILES: C1=CC2=C(C=C(C=C2)N)N=C1

Hydroxytacrine maleate salt, Thermo Scientific™

Hydroxytacrine maleate salt, Thermo Scientific™

CAS: 118909-22-1 Molecular Formula: C17H18N2O5 Molecular Weight (g/mol): 330.34 MDL Number: MFCD00069287 InChI Key: NEEKVKZFYBQFGT-BTJKTKAUSA-N Synonym: 1-hydroxy tacrine maleate, 9-amino-1,2,3,4-tetrahydroacridin-1-ol maleate, dsstox_cid_25158, hydroxytacrine maleate, mentane, unii-wr9885gals, velnacrine maleate, velnacrine maleate usan, wr9885gals PubChem CID: 5702293 IUPAC Name: 9-amino-1,2,3,4-tetrahydroacridin-1-ol;(Z)-but-2-enedioic acid SMILES: C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O.C(=CC(=O)O)C(=O)O

Cinchonidine 98.0+%, TCI America™

Cinchonidine 98.0+%, TCI America™

CAS: 485-71-2 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00006783 InChI Key: KMPWYEUPVWOPIM-UHFFFAOYNA-N Synonym: cinchonidine PubChem CID: 45358337 IUPAC Name: {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(quinolin-4-yl)methanol SMILES: OC(C1CC2CCN1CC2C=C)C1=C2C=CC=CC2=NC=C1

6-Amino-2-methylquinoline 98.0+%, TCI America™

6-Amino-2-methylquinoline 98.0+%, TCI America™

CAS: 65079-19-8 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00052600 InChI Key: TYJFYUVDUUACKX-UHFFFAOYSA-N Synonym: 2-methyl-6-aminoquinoline, 2-methyl-6-quinolinamine, 2-methyl-6-quinolylamine, 2-methyl-quinolin-6-ylamine, 2-methylquinoline-6-amine, 6-amino-2-methylquinoline, 6-aminoquinaldine, 6-quinolinamine, 2-methyl, 6-quinolinamine,2-methyl, mqn PubChem CID: 103148 IUPAC Name: 2-methylquinolin-6-amine SMILES: CC1=NC2=C(C=C1)C=C(C=C2)N

4-(Bromomethyl)-2-quinolinone 97.0+%, TCI America™

4-(Bromomethyl)-2-quinolinone 97.0+%, TCI America™

CAS: 4876-10-2 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.08 MDL Number: MFCD03426152 InChI Key: BBAHJCUCNVVEQU-UHFFFAOYSA-N Synonym: 2 1h-quinolinone, 4-bromomethyl, 2-hydroxy-4-bromo methyl quinoline, 4-bromomethyl hydroquinolin-2-one, 4-bromomethyl quinolin-2 1h-one, 4-bromomethyl-1,2-dihydroquinolin-2-one, 4-bromomethyl-1,2-dihydroquinoline-2-one, 4-bromomethyl-1h-quinolin-2-one, 4-bromomethyl-2 1h-quinolinone, 4-bromomethyl-2-quinolinone, 4-bromomethylquinolinon PubChem CID: 268296 IUPAC Name: 4-(bromomethyl)-1H-quinolin-2-one SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)CBr

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