N-methyl-3-[2-methyl-1-oxidanylidene-3-phenyl-7-(trifluoromethyl)isoquinolin-4-yl]propanamide

Systemtic Name: N-methyl-3-[2-methyl-1-oxidanylidene-3-phenyl-7-(trifluoromethyl)isoquinolin-4-yl]propanamide Openeye Name: N-methyl-3-[2-methyl-1-oxo-3-phenyl-7-(trifluoromethyl)-4-isoquinolyl]propanamide CAS Name: N-methyl-3-[2-methyl-1-oxo-3-phenyl-7-(trifluoromethyl)-4-isoquinolinyl]propanamide IUPAC Name: N-methyl-3-[2-methyl-1-oxo-3-phenyl-7-(trifluoromethyl)isoquinolin-4-yl]propanamide Traditional Name: 3-[1-keto-2-methyl-3-phenyl-7-(trifluoromethyl)-4-isoquinolyl]-N-methyl-propionamide Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC1=C(N(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)CCC1=C(N(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C)C3=CC=CC=C3

InChI

InChI=1S/C21H19F3N2O2/c1-25-18(27)11-10-16-15-9-8-14(21(22,23)24)12-17(15)20(28)26(2)19(16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,27)