3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-veratryl-propionamide Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H22N2O5/c1-27-17-8-7-14(11-18(17)28-2)13-22-19(24)9-10-23-20(25)12-15-5-3-4-6-16(15)21(23)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)