N-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-2-isoquinolin-5-yl-butanamide

Systemtic Name: N-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-2-isoquinolin-5-yl-butanamide Openeye Name: N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(5-isoquinolyl)butanamide CAS Name: N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(5-isoquinolinyl)butanamide IUPAC Name: N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-isoquinolin-5-ylbutanamide Traditional Name: N-[3-fluoro-4-(trifluoromethyl)benzyl]-2-(5-isoquinolyl)butyramide Formula: C21H18F4N2O MolecularWeight: 390.374033

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC(=C(C=C3)C(F)(F)F)F

Isomeric SMILES

CCC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC(=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C21H18F4N2O/c1-2-15(17-5-3-4-14-12-26-9-8-16(14)17)20(28)27-11-13-6-7-18(19(22)10-13)21(23,24)25/h3-10,12,15H,2,11H2,1H3,(H,27,28)