3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-ethoxy-3-methoxy-phenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H22N2O5/c1-3-28-17-9-8-15(13-18(17)27-2)22-19(24)10-11-23-20(25)12-14-6-4-5-7-16(14)21(23)26/h4-9,13H,3,10-12H2,1-2H3,(H,22,24)