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

Systemtic Name: 5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Openeye Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid CAS Name: 5-[(4-cyclohexylphenyl)-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid IUPAC Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Traditional Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3/c29-25(20-12-10-19(11-13-20)18-6-2-1-3-7-18)28-17-22-14-15-24(26(30)31)27(22)16-21-8-4-5-9-23(21)28/h4-5,8-15,18H,1-3,6-7,16-17H2,(H,30,31)