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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2OC)N(C(=O)CN=C3C4=CC=CC(=C4)C#N)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2OC)N(C(=O)CN=C3C4=CC=CC(=C4)C#N)CC5=CC=CC=C5

InChI

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