3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzenecarbonitrile Openeye Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzonitrile CAS Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzonitrile IUPAC Name: 3-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzonitrile Traditional Name: 3-[3-keto-6,7-dimethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzonitrile Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=CC(=C4)C#N)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=CC(=C4)C#N)OC)OC

InChI

InChI=1S/C25H22N2O4/c1-29-20-9-7-17(8-10-20)25-21-14-23(31-3)22(30-2)12-18(21)13-24(28)27(25)19-6-4-5-16(11-19)15-26/h4-12,14,25H,13H2,1-3H3