5-methyl-3-[3-(3-oxidanylpyrrolidin-1-yl)propyl]-2H-isoquinolin-1-one

Systemtic Name: 5-methyl-3-[3-(3-oxidanylpyrrolidin-1-yl)propyl]-2H-isoquinolin-1-one Openeye Name: 3-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[3-(3-hydroxy-1-pyrrolidinyl)propyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[3-(3-hydroxypyrrolidino)propyl]-5-methyl-isocarbostyril Formula: C17H22N2O2 MolecularWeight: 286.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCCN3CCC(C3)O

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCCN3CCC(C3)O

InChI

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