N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-(2-hydroxyethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-phenyl-propanamide Openeye Name: N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolyl]-3-phenyl-propanamide CAS Name: N-[2-(2-hydroxyethyl)-1-oxo-5-isoquinolinyl]-3-phenylpropanamide IUPAC Name: N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-3-phenylpropanamide Traditional Name: N-[2-(2-hydroxyethyl)-1-keto-5-isoquinolyl]-3-phenyl-propionamide Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CCO

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CCO

InChI

InChI=1S/C20H20N2O3/c23-14-13-22-12-11-16-17(20(22)25)7-4-8-18(16)21-19(24)10-9-15-5-2-1-3-6-15/h1-8,11-12,23H,9-10,13-14H2,(H,21,24)