3-[6,8-dimethoxy-2-oxidanylidene-7-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[6,8-dimethoxy-2-oxidanylidene-7-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-(1-benzyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-[6,8-dimethoxy-2-oxo-7-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-(1-benzyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(1-benzyl-2-keto-6,8-dimethoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C31H25N3O3 MolecularWeight: 487.5485

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N(C(=O)CN=C2C3=CC=CC(=C3)C#N)CC4=CC=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=C2C(=C1)N(C(=O)CN=C2C3=CC=CC(=C3)C#N)CC4=CC=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O3/c1-36-26-17-25-29(31(37-2)28(26)23-13-7-4-8-14-23)30(24-15-9-12-22(16-24)18-32)33-19-27(35)34(25)20-21-10-5-3-6-11-21/h3-17H,19-20H2,1-2H3