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

Systemtic Name: 3-[2-(hydroxymethyl)-1-methyl-piperidin-4-yl]-2H-isoquinolin-1-one Openeye Name: 3-[2-(hydroxymethyl)-1-methyl-4-piperidyl]-2H-isoquinolin-1-one CAS Name: 3-[2-(hydroxymethyl)-1-methyl-4-piperidinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]-2H-isoquinolin-1-one Traditional Name: 3-(1-methyl-2-methylol-4-piperidyl)isocarbostyril Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CN1CCC(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H20N2O2/c1-18-7-6-12(8-13(18)10-19)15-9-11-4-2-3-5-14(11)16(20)17-15/h2-5,9,12-13,19H,6-8,10H2,1H3,(H,17,20)