5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid

Systemtic Name: 5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid Openeye Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid CAS Name: 5-[(4-cyclohexylphenyl)-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid IUPAC Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid Traditional Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-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=CN4CC5=C3C=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=C3C=C(C=C5)C(=O)O

InChI

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