3-[1-(phenylmethyl)piperidin-3-yl]-2H-isoquinolin-1-one

Systemtic Name: 3-[1-(phenylmethyl)piperidin-3-yl]-2H-isoquinolin-1-one Openeye Name: 3-(1-benzyl-3-piperidyl)-2H-isoquinolin-1-one CAS Name: 3-[1-(phenylmethyl)-3-piperidinyl]-2H-isoquinolin-1-one IUPAC Name: 3-(1-benzylpiperidin-3-yl)-2H-isoquinolin-1-one Traditional Name: 3-(1-benzyl-3-piperidyl)isocarbostyril Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H22N2O/c24-21-19-11-5-4-9-17(19)13-20(22-21)18-10-6-12-23(15-18)14-16-7-2-1-3-8-16/h1-5,7-9,11,13,18H,6,10,12,14-15H2,(H,22,24)