2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]ethanamide

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]ethanamide Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-[(2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]acetamide CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]acetamide IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]acetamide Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-N-methyl-acetamide Formula: C28H22F6N2O2 MolecularWeight: 532.476899

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(C)C(=O)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(C)C(=O)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H22F6N2O2/c1-35(24(37)14-17-12-19(27(29,30)31)15-20(13-17)28(32,33)34)16-23-25(18-8-4-3-5-9-18)21-10-6-7-11-22(21)26(38)36(23)2/h3-13,15H,14,16H2,1-2H3