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

Systemtic Name: 3-(7,8-dimethoxy-1,3-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7,8-dimethoxy-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7,8-dimethoxy-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7,8-dimethoxy-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-7,8-dimethoxy-1,3-dimethyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC=CC(=C3)C#N)OC)OC)C

Isomeric SMILES

CC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC=CC(=C3)C#N)OC)OC)C

InChI

InChI=1S/C20H19N3O3/c1-12-20(24)23(2)16-10-18(26-4)17(25-3)9-15(16)19(22-12)14-7-5-6-13(8-14)11-21/h5-10,12H,1-4H3