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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(4-methylpiperazin-1-yl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-(4-methylpiperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 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 1,1-dimethyl-3-(4-methylpiperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-(4-methylpiperazine-1-carbonyl)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C24H32N4O3/c1-16(2)31-22(29)18-14-28(23(30)27-12-10-26(5)11-13-27)15-24(3,4)20-17-8-6-7-9-19(17)25-21(18)20/h6-9,14,16,25H,10-13,15H2,1-5H3