Chem
J-GLOBAL ID：200907086197625106   Nikkaji number：J1.847.529D

2-[3-[4-(3-Chlorophenyl)(3,3,5,5-2H4)piperazino]propyl]-4-(2-phenoxyethyl)-5-(2,2,2-2H3)ethyl-2H-1,2,4-triazole-3(4H)-one

2-[3-[4-(3-クロロフェニル)(3,3,5,5-2H4)ピペラジノ]プロピル]-4-(2-フェノキシエチル)-5-(2,2,2-2H3)エチル-2H-1,2,4-トリアゾール-3(4H)-オン
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： C25H25[2H]7ClN5O2
Molecular formula furigana： C25-H32-CL-N5-O2
Molecular weight： 477.060
InChI： InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3/i1D3,16D2,17D2
InChI key： VRBKIVRKKCLPHA-IYHRLLILSA-N
SMILES： C([2H])([2H])([2H])Cc1nn(CCCN2CC([2H])([2H])N(c3cccc(Cl)c3)C([2H])([2H])C2)c(=O)n1CCOc1ccccc1
Systematic name  (3)：
  • 2-[3-[4-(3-クロロフェニル)(3,3,5,5-2H4)ピペラジノ]プロピル]-4-(2-フェノキシエチル)-5-(2,2,2-2H3)エチル-2H-1,2,4-トリアゾール-3(4H)-オン
  • 1-{3-[4-(3-クロロフェニル)(3,3,5,5-2H4)ピペラジン-1-イル]プロピル}-3-[(2,2,2-2H3)エチル]-4-(2-フェノキシエチル)-4,5-ジヒドロ-1H-1,2,4-トリアゾール-5-オン
  • 1-{3-[4-(3-chlorophenyl)(3,3,5,5-2H4)piperazin-1-yl]propyl}-3-[(2,2,2-2H3)ethyl]-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Other name (1)：
  • 2-[3-[4-(3-Chlorophenyl)(3,3,5,5-2H4)piperazino]propyl]-4-(2-phenoxyethyl)-5-(2,2,2-2H3)ethyl-2H-1,2,4-triazole-3(4H)-one
Thsaurus map：
Thesaurus Map

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