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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(3-methylphenoxy)ethyl]propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(3-methylphenoxy)ethyl]propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(3-methylphenoxy)ethyl]propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-[2-(3-methylphenoxy)ethyl]propionamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O4/c1-15-5-4-7-17(13-15)27-12-10-22-19(24)9-11-23-20(25)14-16-6-2-3-8-18(16)21(23)26/h2-8,13H,9-12,14H2,1H3,(H,22,24)