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

Systemtic Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)benzenecarbonitrile Openeye Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzonitrile CAS Name: 4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]benzonitrile IUPAC Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzonitrile Traditional Name: 4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)benzonitrile Formula: C20H15N3O MolecularWeight: 313.3526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N3O/c21-12-15-7-9-16(10-8-15)20(24)23-14-18-5-3-11-22(18)13-17-4-1-2-6-19(17)23/h1-11H,13-14H2