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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1CCCCN1C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

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