N-[2-(3,4-dimethoxyphenyl)ethyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,6,7-trimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,6,7-trimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: N-homoveratryl-1-keto-2,6,7-trimethyl-4-phenyl-isoquinoline-3-carboxamide Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C29H30N2O4/c1-18-15-22-23(16-19(18)2)29(33)31(3)27(26(22)21-9-7-6-8-10-21)28(32)30-14-13-20-11-12-24(34-4)25(17-20)35-5/h6-12,15-17H,13-14H2,1-5H3,(H,30,32)