3-[2-[2-(hydroxymethyl)-3-methyl-piperidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 3-[2-[2-(hydroxymethyl)-3-methyl-piperidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[2-[2-(hydroxymethyl)-3-methyl-1-piperidyl]ethyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[2-[2-(hydroxymethyl)-3-methyl-1-piperidinyl]ethyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[2-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-[2-(3-methyl-2-methylol-piperidino)ethyl]isocarbostyril Formula: C19H26N2O2 MolecularWeight: 314.42194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1CO)CCC2=CC3=C(C=CC=C3C)C(=O)N2

Isomeric SMILES

CC1CCCN(C1CO)CCC2=CC3=C(C=CC=C3C)C(=O)N2

InChI

InChI=1S/C19H26N2O2/c1-13-5-3-7-16-17(13)11-15(20-19(16)23)8-10-21-9-4-6-14(2)18(21)12-22/h3,5,7,11,14,18,22H,4,6,8-10,12H2,1-2H3,(H,20,23)