5-methyl-3-[1-(2-oxidanylpropyl)piperidin-4-yl]-2H-isoquinolin-1-one

Systemtic Name: 5-methyl-3-[1-(2-oxidanylpropyl)piperidin-4-yl]-2H-isoquinolin-1-one Openeye Name: 3-[1-(2-hydroxypropyl)-4-piperidyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[1-(2-hydroxypropyl)-4-piperidinyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[1-(2-hydroxypropyl)piperidin-4-yl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[1-(2-hydroxypropyl)-4-piperidyl]-5-methyl-isocarbostyril Formula: C18H24N2O2 MolecularWeight: 300.39536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)CC(C)O

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)CC(C)O

InChI

InChI=1S/C18H24N2O2/c1-12-4-3-5-15-16(12)10-17(19-18(15)22)14-6-8-20(9-7-14)11-13(2)21/h3-5,10,13-14,21H,6-9,11H2,1-2H3,(H,19,22)