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

Systemtic Name: 7-(3-oxidanylpyrrolidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxypyrrolidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxy-1-pyrrolidinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypyrrolidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypyrrolidino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C20H17F3N2O2 MolecularWeight: 374.35639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CC1O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2/c21-20(22,23)17-4-2-1-3-15(17)18-9-12-5-6-13(10-16(12)19(27)24-18)25-8-7-14(26)11-25/h1-6,9-10,14,26H,7-8,11H2,(H,24,27)