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

Systemtic Name: 3-[7,8-dimethoxy-2-oxidanylidene-1-(phenylmethyl)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-(1-benzyl-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-[7,8-dimethoxy-2-oxo-1-(phenylmethyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-(1-benzyl-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(1-benzyl-2-keto-7,8-dimethoxy-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CC3=CC=CC=C3)C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CC3=CC=CC=C3)C4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C25H21N3O3/c1-30-22-12-20-21(13-23(22)31-2)28(16-17-7-4-3-5-8-17)24(29)15-27-25(20)19-10-6-9-18(11-19)14-26/h3-13H,15-16H2,1-2H3