4-(1-ethylpiperidin-4-yl)-7-fluoranyl-3-methyl-2H-isoquinolin-1-one

Systemtic Name: 4-(1-ethylpiperidin-4-yl)-7-fluoranyl-3-methyl-2H-isoquinolin-1-one Openeye Name: 4-(1-ethyl-4-piperidyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one CAS Name: 4-(1-ethyl-4-piperidinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one IUPAC Name: 4-(1-ethylpiperidin-4-yl)-7-fluoro-3-methyl-2H-isoquinolin-1-one Traditional Name: 4-(1-ethyl-4-piperidyl)-7-fluoro-3-methyl-isocarbostyril Formula: C17H21FN2O MolecularWeight: 288.359843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2=C(NC(=O)C3=C2C=CC(=C3)F)C

Isomeric SMILES

CCN1CCC(CC1)C2=C(NC(=O)C3=C2C=CC(=C3)F)C

InChI

InChI=1S/C17H21FN2O/c1-3-20-8-6-12(7-9-20)16-11(2)19-17(21)15-10-13(18)4-5-14(15)16/h4-5,10,12H,3,6-9H2,1-2H3,(H,19,21)