3-[2-(2-methoxyethoxy)phenyl]-7-(4-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(2-methoxyethoxy)phenyl]-7-(4-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 7-(4-hydroxy-1-piperidyl)-3-[2-(2-methoxyethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(4-hydroxy-1-piperidinyl)-3-[2-(2-methoxyethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(4-hydroxypiperidin-1-yl)-3-[2-(2-methoxyethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(4-hydroxypiperidino)-3-[2-(2-methoxyethoxy)phenyl]isocarbostyril Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCC(CC4)O)C(=O)N2

Isomeric SMILES

COCCOC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCC(CC4)O)C(=O)N2

InChI

InChI=1S/C23H26N2O4/c1-28-12-13-29-22-5-3-2-4-19(22)21-14-16-6-7-17(15-20(16)23(27)24-21)25-10-8-18(26)9-11-25/h2-7,14-15,18,26H,8-13H2,1H3,(H,24,27)