3-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzenecarbonitrile

Systemtic Name: 3-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzenecarbonitrile Openeye Name: 3-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzonitrile CAS Name: 3-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzonitrile IUPAC Name: 3-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzonitrile Traditional Name: 3-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzonitrile Formula: C20H13N3O MolecularWeight: 311.33672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C(C=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(C=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)N2

InChI

InChI=1S/C20H13N3O/c21-12-13-4-3-5-14(10-13)15-8-9-16-19(11-15)22-17-6-1-2-7-18(17)23-20(16)24/h1-11,22H,(H,23,24)