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

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloranyl-N,2-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-N,2-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-N,2-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: 5-[3,5-bis(trifluoromethyl)benzyl]-6-chloro-1-keto-N,2-dimethyl-4-phenyl-isoquinoline-3-carboxamide Formula: C27H19ClF6N2O2 MolecularWeight: 552.895379

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C2=C(C=CC(=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl)C(=O)N1C)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=C(C2=C(C=CC(=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl)C(=O)N1C)C4=CC=CC=C4

InChI

InChI=1S/C27H19ClF6N2O2/c1-35-24(37)23-21(15-6-4-3-5-7-15)22-18(25(38)36(23)2)8-9-20(28)19(22)12-14-10-16(26(29,30)31)13-17(11-14)27(32,33)34/h3-11,13H,12H2,1-2H3,(H,35,37)