Chem
J-GLOBAL ID：200907047021898623   Nikkaji number：J183.767B

1-(2,4,6-Trichlorophenyl)-3-[3-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]benzoylamino]-5(4H)-pyrazolone

1-(2,4,6-トリクロロフェニル)-3-[3-[2-(2,4-ジ-tert-ペンチルフェノキシ)ブチリルアミノ]ベンゾイルアミノ]-5(4H)-ピラゾロン
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： C36H41Cl3N4O4
Molecular formula furigana： C36-H41-CL3-N4-O4
Molecular weight： 700.100
InChI： InChI=1S/C36H41Cl3N4O4/c1-8-28(47-29-15-14-22(35(4,5)9-2)17-25(29)36(6,7)10-3)34(46)40-24-13-11-12-21(16-24)33(45)41-30-20-31(44)43(42-30)32-26(38)18-23(37)19-27(32)39/h11-19,28H,8-10,20H2,1-7H3,(H,40,46)(H,41,42,45)
InChI key： YRDPBPLUAPBDQV-UHFFFAOYSA-N
SMILES： CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(Cl)cc1Cl
Systematic name  (5)：
  • 3-[[2-[2,4-ビス(1,1-ジメチルプロピル)フェノキシ]-1-オキソブチル]アミノ]-N-[[4,5-ジヒドロ-5-オキソ-1-(2,4,6-トリクロロフェニル)-1H-ピラゾール]-3-イル]ベンズアミド
  • 1-(2,4,6-トリクロロフェニル)-3-[3-[2-(2,4-ジ-tert-ペンチルフェノキシ)ブチリルアミノ]ベンゾイルアミノ]-5(4H)-ピラゾロン
  • N-[3-[[1-(2,4,6-トリクロロフェニル)-4,5-ジヒドロ-5-オキソ-1H-ピラゾール-3-イル]カルバモイル]フェニル]-2-(2,4-ビス-tert-ペンチルフェノキシ)ブタンアミド
  • 3-{2-[2,4-ビス(2-メチルブタン-2-イル)フェノキシ]ブタンアミド}-N-[5-オキソ-1-(2,4,6-トリクロロフェニル)-4,5-ジヒドロ-1H-ピラゾール-3-イル]ベンズアミド
  • 3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide
Other name (2)：
  • 1-(2,4,6-Trichlorophenyl)-3-[3-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]benzoylamino]-5(4H)-pyrazolone
  • N-[3-[[1-(2,4,6-Trichlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-yl]carbamoyl]phenyl]-2-(2,4-bis-tert-pentylphenoxy)butanamide
CAS registry number： 31598-52-4
Regulation number (2)：
  • (5)-339
  • EINECS2507206
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