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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-homoveratryl-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H26N2O5/c1-32-20-11-9-19(10-12-20)29-17-23(21-6-4-5-7-22(21)27(29)31)26(30)28-15-14-18-8-13-24(33-2)25(16-18)34-3/h4-13,16-17H,14-15H2,1-3H3,(H,28,30)