5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: 5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[(4-cyclohexylphenyl)-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C26H27N3O2 MolecularWeight: 413.51148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N

InChI

InChI=1S/C26H27N3O2/c27-25(30)24-15-14-22-17-29(23-9-5-4-8-21(23)16-28(22)24)26(31)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7,16-17H2,(H2,27,30)