N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-homoveratryl-1-keto-isoquinoline-4-carboxamide Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C28H28N2O4/c1-18-9-11-21(15-19(18)2)30-17-24(22-7-5-6-8-23(22)28(30)32)27(31)29-14-13-20-10-12-25(33-3)26(16-20)34-4/h5-12,15-17H,13-14H2,1-4H3,(H,29,31)