propan-2-yl 9-fluoranyl-1,1-dimethyl-3-(4-methylpiperazin-1-yl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 9-fluoranyl-1,1-dimethyl-3-(4-methylpiperazin-1-yl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 9-fluoro-1,1-dimethyl-3-(4-methylpiperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 9-fluoro-1,1-dimethyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 9-fluoro-1,1-dimethyl-3-(4-methylpiperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 9-fluoro-1,1-dimethyl-3-(4-methylpiperazine-1-carbonyl)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C24H31FN4O3 MolecularWeight: 442.526343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=C2C=C(C=C3)F)(C)C)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=C2C=C(C=C3)F)(C)C)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C24H31FN4O3/c1-15(2)32-22(30)18-13-29(23(31)28-10-8-27(5)9-11-28)14-24(3,4)20-17-12-16(25)6-7-19(17)26-21(18)20/h6-7,12-13,15,26H,8-11,14H2,1-5H3