5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: 5-[3,5-bis(trifluoromethyl)benzyl]-1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxamide Formula: C26H18F6N2O2 MolecularWeight: 504.423739

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)C(=O)N

InChI

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