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

Systemtic Name: 7-(3-oxidanylpropylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxypropylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxypropylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypropylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypropylamino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C19H17F3N2O2 MolecularWeight: 362.34569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)NCCCO)C(=O)N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)NCCCO)C(=O)N2)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O2/c20-19(21,22)16-5-2-1-4-14(16)17-10-12-6-7-13(23-8-3-9-25)11-15(12)18(26)24-17/h1-2,4-7,10-11,23,25H,3,8-9H2,(H,24,26)