7-[3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-[3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[3-(hydroxymethyl)-2-oxo-pyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[3-(hydroxymethyl)-2-oxo-1-pyrrolidinyl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[3-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(2-keto-3-methylol-pyrrolidino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CO)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(C(=O)C1CO)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H17F3N2O3/c22-21(23,24)17-4-2-1-3-15(17)18-9-12-5-6-14(10-16(12)19(28)25-18)26-8-7-13(11-27)20(26)29/h1-6,9-10,13,27H,7-8,11H2,(H,25,28)