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

Systemtic Name: N-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[(2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[(1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3,5-bis(trifluoromethyl)benzamide Formula: C26H18F6N2O2 MolecularWeight: 504.423739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18F6N2O2/c1-34-21(22(15-7-3-2-4-8-15)19-9-5-6-10-20(19)24(34)36)14-33-23(35)16-11-17(25(27,28)29)13-18(12-16)26(30,31)32/h2-13H,14H2,1H3,(H,33,35)