3-[4-fluoranyl-2-(trifluoromethyl)phenyl]-7-(4-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-[4-fluoranyl-2-(trifluoromethyl)phenyl]-7-(4-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 3-[4-fluoro-2-(trifluoromethyl)phenyl]-7-(4-hydroxy-1-piperidyl)-2H-isoquinolin-1-one CAS Name: 3-[4-fluoro-2-(trifluoromethyl)phenyl]-7-(4-hydroxy-1-piperidinyl)-2H-isoquinolin-1-one IUPAC Name: 3-[4-fluoro-2-(trifluoromethyl)phenyl]-7-(4-hydroxypiperidin-1-yl)-2H-isoquinolin-1-one Traditional Name: 3-[4-fluoro-2-(trifluoromethyl)phenyl]-7-(4-hydroxypiperidino)isocarbostyril Formula: C21H18F4N2O2 MolecularWeight: 406.373433

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=CC3=C(C=C2)C=C(NC3=O)C4=C(C=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1CN(CCC1O)C2=CC3=C(C=C2)C=C(NC3=O)C4=C(C=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C21H18F4N2O2/c22-13-2-4-16(18(10-13)21(23,24)25)19-9-12-1-3-14(11-17(12)20(29)26-19)27-7-5-15(28)6-8-27/h1-4,9-11,15,28H,5-8H2,(H,26,29)