7-fluoranyl-4-[1-(phenylcarbonyl)piperidin-4-yl]-2H-isoquinolin-1-one

Systemtic Name: 7-fluoranyl-4-[1-(phenylcarbonyl)piperidin-4-yl]-2H-isoquinolin-1-one Openeye Name: 4-(1-benzoyl-4-piperidyl)-7-fluoro-2H-isoquinolin-1-one CAS Name: 4-(1-benzoyl-4-piperidinyl)-7-fluoro-2H-isoquinolin-1-one IUPAC Name: 4-(1-benzoylpiperidin-4-yl)-7-fluoro-2H-isoquinolin-1-one Traditional Name: 4-(1-benzoyl-4-piperidyl)-7-fluoro-isocarbostyril Formula: C21H19FN2O2 MolecularWeight: 350.386163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC(=O)C3=C2C=CC(=C3)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CNC(=O)C3=C2C=CC(=C3)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19FN2O2/c22-16-6-7-17-18(12-16)20(25)23-13-19(17)14-8-10-24(11-9-14)21(26)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2,(H,23,25)