methyl 13-cyclohexyl-5-(phenylmethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylate

Systemtic Name: methyl 13-cyclohexyl-5-(phenylmethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylate Openeye Name: methyl 5-benzyl-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylate CAS Name: 13-cyclohexyl-5-(phenylmethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylate Traditional Name: 5-benzyl-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid methyl ester Formula: C31H32N2O2 MolecularWeight: 464.59798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCN(C4=CC=CC=C43)CC5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCN(C4=CC=CC=C43)CC5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C31H32N2O2/c1-35-31(34)24-16-17-25-28(20-24)33-19-18-32(21-22-10-4-2-5-11-22)27-15-9-8-14-26(27)30(33)29(25)23-12-6-3-7-13-23/h2,4-5,8-11,14-17,20,23H,3,6-7,12-13,18-19,21H2,1H3