3-(7-methoxy-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(7-methoxy-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-7-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=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N

InChI

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