5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6,7-trimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6,7-trimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: 5-[3,5-bis(trifluoromethyl)benzyl]-1-keto-2,6,7-trimethyl-4-phenyl-isoquinoline-3-carboxamide Formula: C28H22F6N2O2 MolecularWeight: 532.476899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)N)C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)N)C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C28H22F6N2O2/c1-14-9-21-23(22(17-7-5-4-6-8-17)24(25(35)37)36(3)26(21)38)20(15(14)2)12-16-10-18(27(29,30)31)13-19(11-16)28(32,33)34/h4-11,13H,12H2,1-3H3,(H2,35,37)