Chem
J-GLOBAL ID:200907006753425487   Nikkaji number:J243.522E

3,3′-[2,3-Diethyl-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[4-chloro-2-(trifluoromethyl)phenyl]-5-chlorobenzamide]

3,3′-[2,3-ジエチル-1,4-フェニレンビス[イミノカルボニル(アセチルメチレン)アゾ]]ビス[N-[4-クロロ-2-(トリフルオロメチル)フェニル]-5-クロロベンズアミド]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C46H36Cl4F6N8O6
Molecular formula furigana: C46-H36-CL4-F6-N8-O6
Molecular weight: 1052.630
InChI: InChI=1S/C46H36Cl4F6N8O6/c1-5-31-32(6-2)36(58-44(70)40(22(4)66)64-62-30-16-24(14-28(50)18-30)42(68)60-38-10-8-26(48)20-34(38)46(54,55)56)12-11-35(31)57-43(69)39(21(3)65)63-61-29-15-23(13-27(49)17-29)41(67)59-37-9-7-25(47)19-33(37)45(51,52)53/h7-20,39-40H,5-6H2,1-4H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)
InChI key: VLLMSDGHJMXCST-UHFFFAOYSA-N
SMILES: CCc1c(NC(=O)C(N=Nc2cc(Cl)cc(c2)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(=O)C)ccc(NC(=O)C(N=Nc2cc(Cl)cc(c2)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(=O)C)c1CC
Systematic name  (3):
  • 3,3′-[2,3-ジエチル-1,4-フェニレンビス[イミノカルボニル(アセチルメチレン)アゾ]]ビス[N-[4-クロロ-2-(トリフルオロメチル)フェニル]-5-クロロベンズアミド]
  • 3-クロロ-N-[4-クロロ-2-(トリフルオロメチル)フェニル]-5-(2-{1-[(4-{2-[2-(3-クロロ-5-{[4-クロロ-2-(トリフルオロメチル)フェニル]カルバモイル}フェニル)ジアゼン-1-イル]-3-オキソブタンアミド}-2,3-ジエチルフェニル)カルバモイル]-2-オキソプロピル}ジアゼン-1-イル)ベンズアミド
  • 3-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-{1-[(4-{2-[2-(3-chloro-5-{[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-2,3-diethylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)benzamide
Other name (1):
  • 3,3′-[2,3-Diethyl-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[4-chloro-2-(trifluoromethyl)phenyl]-5-chlorobenzamide]
Regulation number (1):
  • (3)-3012
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