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

Systemtic Name: 3-[1-(4-oxidanylbutyl)piperidin-4-yl]-2H-isoquinolin-1-one Openeye Name: 3-[1-(4-hydroxybutyl)-4-piperidyl]-2H-isoquinolin-1-one CAS Name: 3-[1-(4-hydroxybutyl)-4-piperidinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[1-(4-hydroxybutyl)piperidin-4-yl]-2H-isoquinolin-1-one Traditional Name: 3-[1-(4-hydroxybutyl)-4-piperidyl]isocarbostyril Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3C(=O)N2)CCCCO

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3C(=O)N2)CCCCO

InChI

InChI=1S/C18H24N2O2/c21-12-4-3-9-20-10-7-14(8-11-20)17-13-15-5-1-2-6-16(15)18(22)19-17/h1-2,5-6,13-14,21H,3-4,7-12H2,(H,19,22)