6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(2,6-dimethylcyclohexen-1-yl)phenyl]methanone

Systemtic Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(2,6-dimethylcyclohexen-1-yl)phenyl]methanone Openeye Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(2,6-dimethylcyclohexen-1-yl)phenyl]methanone CAS Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(2,6-dimethyl-1-cyclohexenyl)phenyl]methanone IUPAC Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(2,6-dimethylcyclohexen-1-yl)phenyl]methanone Traditional Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(2,6-dimethylcyclohexen-1-yl)phenyl]methanone Formula: C27H28N2O MolecularWeight: 396.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=C1C2=CC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)C

Isomeric SMILES

CC1CCCC(=C1C2=CC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)C

InChI

InChI=1S/C27H28N2O/c1-19-7-5-8-20(2)26(19)21-12-14-22(15-13-21)27(30)29-18-24-10-6-16-28(24)17-23-9-3-4-11-25(23)29/h3-4,6,9-16,19H,5,7-8,17-18H2,1-2H3