4-(3-ethanoyl-7,8-dimethoxy-4-oxidanylidene-5H-2,3-benzodiazepin-1-yl)benzenecarbonitrile

Systemtic Name: 4-(3-ethanoyl-7,8-dimethoxy-4-oxidanylidene-5H-2,3-benzodiazepin-1-yl)benzenecarbonitrile Openeye Name: 4-(3-acetyl-7,8-dimethoxy-4-oxo-5H-2,3-benzodiazepin-1-yl)benzonitrile CAS Name: 4-(3-acetyl-7,8-dimethoxy-4-oxo-5H-2,3-benzodiazepin-1-yl)benzonitrile IUPAC Name: 4-(3-acetyl-7,8-dimethoxy-4-oxo-5H-2,3-benzodiazepin-1-yl)benzonitrile Traditional Name: 4-(3-acetyl-4-keto-7,8-dimethoxy-5H-2,3-benzodiazepin-1-yl)benzonitrile Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C#N)OC)OC

Isomeric SMILES

CC(=O)N1C(=O)CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C#N)OC)OC

InChI

InChI=1S/C20H17N3O4/c1-12(24)23-19(25)9-15-8-17(26-2)18(27-3)10-16(15)20(22-23)14-6-4-13(11-21)5-7-14/h4-8,10H,9H2,1-3H3