N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[5-cyclohexyl-9-methyl-1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[5-cyclohexyl-2-keto-1-[2-keto-2-(o-tolyl)ethyl]-9-methyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Formula: C34H34N4O3 MolecularWeight: 546.65876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4CCCCC4)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4CCCCC4)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C34H34N4O3/c1-21-11-6-8-16-25(21)29(39)20-38-31-22(2)12-10-17-26(31)30(23-13-4-3-5-14-23)36-32(34(38)41)37-33(40)28-19-24-15-7-9-18-27(24)35-28/h6-12,15-19,23,32,35H,3-5,13-14,20H2,1-2H3,(H,37,40)