3-ethyl-7-fluoranyl-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2H-isoquinolin-1-one

Systemtic Name: 3-ethyl-7-fluoranyl-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2H-isoquinolin-1-one Openeye Name: 3-ethyl-7-fluoro-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2H-isoquinolin-1-one CAS Name: 3-ethyl-7-fluoro-4-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-2H-isoquinolin-1-one IUPAC Name: 3-ethyl-7-fluoro-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2H-isoquinolin-1-one Traditional Name: 3-ethyl-7-fluoro-4-[(2-methylolpyrrolidino)methyl]isocarbostyril Formula: C17H21FN2O2 MolecularWeight: 304.359243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCCC3CO

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCCC3CO

InChI

InChI=1S/C17H21FN2O2/c1-2-16-15(9-20-7-3-4-12(20)10-21)13-6-5-11(18)8-14(13)17(22)19-16/h5-6,8,12,21H,2-4,7,9-10H2,1H3,(H,19,22)