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

Systemtic Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxidanylidene-1-phenethyl-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxo-1-phenethyl-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxo-1-phenethyl-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxo-1-phenethyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[2-keto-8-methoxy-7-(2-methoxyphenyl)-1-phenethyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C32H27N3O3 MolecularWeight: 501.57508

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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)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2OC)N(C(=O)CN=C3C4=CC=CC(=C4)C#N)CCC5=CC=CC=C5

InChI

InChI=1S/C32H27N3O3/c1-37-29-14-7-6-13-25(29)26-18-27-28(19-30(26)38-2)35(16-15-22-9-4-3-5-10-22)31(36)21-34-32(27)24-12-8-11-23(17-24)20-33/h3-14,17-19H,15-16,21H2,1-2H3