13-cyclohexyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-6-oxidanylidene-5,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxamide

Systemtic Name: 13-cyclohexyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-6-oxidanylidene-5,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxamide Openeye Name: 13-cyclohexyl-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-6-oxo-5,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxamide CAS Name: 13-cyclohexyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-oxo-5,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxamide IUPAC Name: 13-cyclohexyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-oxo-5,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxamide Traditional Name: 13-cyclohexyl-6-keto-N-vanillyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxamide Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=C4N3CC(=O)NC5=CC=CC=C54)C6CCCCC6)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=C4N3CC(=O)NC5=CC=CC=C54)C6CCCCC6)O

InChI

InChI=1S/C31H31N3O4/c1-38-27-15-19(11-14-26(27)35)17-32-31(37)21-12-13-23-25(16-21)34-18-28(36)33-24-10-6-5-9-22(24)30(34)29(23)20-7-3-2-4-8-20/h5-6,9-16,20,35H,2-4,7-8,17-18H2,1H3,(H,32,37)(H,33,36)