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

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: 5-[3,5-bis(trifluoromethyl)benzyl]-6-chloro-1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxamide Formula: C26H17ClF6N2O2 MolecularWeight: 538.868799

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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)Cl)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)Cl)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H17ClF6N2O2/c1-35-22(23(34)36)20(14-5-3-2-4-6-14)21-17(24(35)37)7-8-19(27)18(21)11-13-9-15(25(28,29)30)12-16(10-13)26(31,32)33/h2-10,12H,11H2,1H3,(H2,34,36)