2-[2,4-bis(fluoranyl)phenyl]-4-(4-methylpiperidin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-4-(4-methylpiperidin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(2,4-difluorophenyl)-4-(4-methylpiperidine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(2,4-difluorophenyl)-4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(2,4-difluorophenyl)-4-(4-methylpiperidine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(2,4-difluorophenyl)-4-(4-methylpiperidine-1-carbonyl)isocarbostyril Formula: C22H20F2N2O2 MolecularWeight: 382.403206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H20F2N2O2/c1-14-8-10-25(11-9-14)21(27)18-13-26(20-7-6-15(23)12-19(20)24)22(28)17-5-3-2-4-16(17)18/h2-7,12-14H,8-11H2,1H3