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

Systemtic Name: 1-[5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]ethanone Openeye Name: 1-[5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]ethanone CAS Name: 1-[5-[(4-cyclohexylphenyl)-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]ethanone IUPAC Name: 1-[5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]ethanone Traditional Name: 1-[5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]ethanone Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC(=O)C1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C27H28N2O2/c1-19(30)25-16-15-24-18-29(26-10-6-5-9-23(26)17-28(24)25)27(31)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h5-6,9-16,20H,2-4,7-8,17-18H2,1H3