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

Systemtic Name: 3-[1-(2-oxidanylpropyl)piperidin-4-yl]-2H-isoquinolin-1-one Openeye Name: 3-[1-(2-hydroxypropyl)-4-piperidyl]-2H-isoquinolin-1-one CAS Name: 3-[1-(2-hydroxypropyl)-4-piperidinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[1-(2-hydroxypropyl)piperidin-4-yl]-2H-isoquinolin-1-one Traditional Name: 3-[1-(2-hydroxypropyl)-4-piperidyl]isocarbostyril Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CC1)C2=CC3=CC=CC=C3C(=O)N2)O

Isomeric SMILES

CC(CN1CCC(CC1)C2=CC3=CC=CC=C3C(=O)N2)O

InChI

InChI=1S/C17H22N2O2/c1-12(20)11-19-8-6-13(7-9-19)16-10-14-4-2-3-5-15(14)17(21)18-16/h2-5,10,12-13,20H,6-9,11H2,1H3,(H,18,21)