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

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(o-tolyl)-1-oxo-isoquinoline-3-carboxamide CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinecarboxamide IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide Traditional Name: 5-[3,5-bis(trifluoromethyl)benzyl]-1-keto-2-methyl-4-(o-tolyl)isoquinoline-3-carboxamide Formula: C27H20F6N2O2 MolecularWeight: 518.450319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=C2C(=CC=C3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=C2C(=CC=C3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)C(=O)N

InChI

InChI=1S/C27H20F6N2O2/c1-14-6-3-4-8-19(14)22-21-16(7-5-9-20(21)25(37)35(2)23(22)24(34)36)10-15-11-17(26(28,29)30)13-18(12-15)27(31,32)33/h3-9,11-13H,10H2,1-2H3,(H2,34,36)