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

Systemtic Name: 7-(3-oxidanylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxy-1-piperidyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxy-1-piperidinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypiperidino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F)O

Isomeric SMILES

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F)O

InChI

InChI=1S/C21H19F3N2O2/c22-21(23,24)18-6-2-1-5-16(18)19-10-13-7-8-14(11-17(13)20(28)25-19)26-9-3-4-15(27)12-26/h1-2,5-8,10-11,15,27H,3-4,9,12H2,(H,25,28)