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

Systemtic Name: 5-methyl-3-[1-(4-oxidanylbutyl)piperidin-4-yl]-2H-isoquinolin-1-one Openeye Name: 3-[1-(4-hydroxybutyl)-4-piperidyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[1-(4-hydroxybutyl)-4-piperidinyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[1-(4-hydroxybutyl)piperidin-4-yl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[1-(4-hydroxybutyl)-4-piperidyl]-5-methyl-isocarbostyril Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)CCCCO

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)CCCCO

InChI

InChI=1S/C19H26N2O2/c1-14-5-4-6-16-17(14)13-18(20-19(16)23)15-7-10-21(11-8-15)9-2-3-12-22/h4-6,13,15,22H,2-3,7-12H2,1H3,(H,20,23)