4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)-2-methyl-benzenecarbonitrile

Systemtic Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)-2-methyl-benzenecarbonitrile Openeye Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methyl-benzonitrile CAS Name: 4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]-2-methylbenzonitrile IUPAC Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzonitrile Traditional Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methyl-benzonitrile Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=CN3CC4=CC=CC=C42)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=CN3CC4=CC=CC=C42)C#N

InChI

InChI=1S/C21H17N3O/c1-15-11-16(8-9-17(15)12-22)21(25)24-14-19-6-4-10-23(19)13-18-5-2-3-7-20(18)24/h2-11H,13-14H2,1H3