methyl 13-cyclohexyl-6-[4-(2-oxidanylidene-3H-indol-1-yl)piperidin-1-yl]carbonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylate

Systemtic Name: methyl 13-cyclohexyl-6-[4-(2-oxidanylidene-3H-indol-1-yl)piperidin-1-yl]carbonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylate Openeye Name: methyl 13-cyclohexyl-6-[4-(2-oxoindolin-1-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate CAS Name: 13-cyclohexyl-6-[oxo-[4-(2-oxo-3H-indol-1-yl)-1-piperidinyl]methyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid methyl ester IUPAC Name: methyl 13-cyclohexyl-6-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate Traditional Name: 13-cyclohexyl-6-[4-(2-ketoindolin-1-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid methyl ester Formula: C39H39N3O4 MolecularWeight: 613.74466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=CC=CC=C43)C(=O)N5CCC(CC5)N6C(=O)CC7=CC=CC=C76)C8CCCCC8

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=CC=CC=C43)C(=O)N5CCC(CC5)N6C(=O)CC7=CC=CC=C76)C8CCCCC8

InChI

InChI=1S/C39H39N3O4/c1-46-39(45)28-15-16-32-34(22-28)41-24-29(21-26-11-5-7-13-31(26)37(41)36(32)25-9-3-2-4-10-25)38(44)40-19-17-30(18-20-40)42-33-14-8-6-12-27(33)23-35(42)43/h5-8,11-16,21-22,25,30H,2-4,9-10,17-20,23-24H2,1H3