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

Systemtic Name: 7-(2-hydroxyethylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(2-hydroxyethylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(2-hydroxyethylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(2-hydroxyethylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(2-hydroxyethylamino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C18H15F3N2O2 MolecularWeight: 348.31911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O2/c19-18(20,21)15-4-2-1-3-13(15)16-9-11-5-6-12(22-7-8-24)10-14(11)17(25)23-16/h1-6,9-10,22,24H,7-8H2,(H,23,25)