N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-homoveratryl-2-(1-keto-2-isoquinolyl)acetamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H22N2O4/c1-26-18-8-7-15(13-19(18)27-2)9-11-22-20(24)14-23-12-10-16-5-3-4-6-17(16)21(23)25/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,22,24)