6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one

Systemtic Name: 6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one Openeye Name: 6-[[1-(m-tolylmethyl)-4-piperidyl]oxy]-2H-isoquinolin-1-one CAS Name: 6-[[1-[(3-methylphenyl)methyl]-4-piperidinyl]oxy]-2H-isoquinolin-1-one IUPAC Name: 6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one Traditional Name: 6-[[1-(3-methylbenzyl)-4-piperidyl]oxy]isocarbostyril Formula: C22H24N2O2 MolecularWeight: 348.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CC2)OC3=CC4=C(C=C3)C(=O)NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CC2)OC3=CC4=C(C=C3)C(=O)NC=C4

InChI

InChI=1S/C22H24N2O2/c1-16-3-2-4-17(13-16)15-24-11-8-19(9-12-24)26-20-5-6-21-18(14-20)7-10-23-22(21)25/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,23,25)