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

Systemtic Name: 5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde Openeye Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde CAS Name: 5-[(4-cyclohexylphenyl)-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxaldehyde IUPAC Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde Traditional Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde Formula: C26H26N2O2 MolecularWeight: 398.49684

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2/c29-18-24-15-14-23-17-28(25-9-5-4-8-22(25)16-27(23)24)26(30)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h4-5,8-15,18-19H,1-3,6-7,16-17H2