[5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]carbonyl-(methanoyldiazenyl)-dimethyl-azanium

Systemtic Name: [5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]carbonyl-(methanoyldiazenyl)-dimethyl-azanium Openeye Name: [5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]-formylazo-dimethyl-ammonium CAS Name: [[5-[(4-cyclohexylphenyl)-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]-oxomethyl]-formylazo-dimethylammonium IUPAC Name: [5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]-(formyldiazenyl)-dimethylazanium Traditional Name: [5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]-formylazo-dimethyl-ammonium Formula: C29H32N5O3+ MolecularWeight: 498.59608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C(=O)C1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=CC=C(C=C4)C5CCCCC5)N=NC=O

Isomeric SMILES

C[N+](C)(C(=O)C1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=CC=C(C=C4)C5CCCCC5)N=NC=O

InChI

InChI=1S/C29H32N5O3/c1-34(2,31-30-20-35)29(37)27-17-16-25-19-33(26-11-7-6-10-24(26)18-32(25)27)28(36)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h6-7,10-17,20-21H,3-5,8-9,18-19H2,1-2H3/q+1