3-(6-methoxy-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(6-methoxy-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(6-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(6-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(6-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-6-methoxy-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=NCC(=O)N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=CC2=C1C(=NCC(=O)N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H13N3O2/c1-22-14-7-3-6-13-16(14)17(19-10-15(21)20-13)12-5-2-4-11(8-12)9-18/h2-8H,10H2,1H3,(H,20,21)