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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-4-(4-methylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(2,4-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(2,4-difluorophenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(2,4-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(2,4-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)isocarbostyril Formula: C21H19F2N3O2 MolecularWeight: 383.391266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H19F2N3O2/c1-24-8-10-25(11-9-24)20(27)17-13-26(19-7-6-14(22)12-18(19)23)21(28)16-5-3-2-4-15(16)17/h2-7,12-13H,8-11H2,1H3