Chem
J-GLOBAL ID:200907077031356795   Nikkaji number:J249.373J

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

3,3′-[2,5-ジメトキシ-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-[3-(1-クロロエチル)フェニル]-2-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: C46H42Cl4N8O8
Molecular formula furigana: C46-H42-CL4-N8-O8
Molecular weight: 976.690
InChI: InChI=1S/C46H42Cl4N8O8/c1-23(47)27-11-7-13-29(19-27)51-43(61)31-15-9-17-33(39(31)49)55-57-41(25(3)59)45(63)53-35-21-38(66-6)36(22-37(35)65-5)54-46(64)42(26(4)60)58-56-34-18-10-16-32(40(34)50)44(62)52-30-14-8-12-28(20-30)24(2)48/h7-24,41-42H,1-6H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)
InChI key: AGNPBCQAXHYLIJ-UHFFFAOYSA-N
SMILES: COc1cc(NC(=O)C(N=Nc2cccc(C(=O)Nc3cccc(c3)C(C)Cl)c2Cl)C(=O)C)c(OC)cc1NC(=O)C(N=Nc1cccc(C(=O)Nc2cccc(c2)C(C)Cl)c1Cl)C(=O)C
Systematic name  (3):
  • 3,3′-[2,5-ジメトキシ-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-[3-(1-クロロエチル)フェニル]-2-クロロベンズアミド]
  • 2-クロロ-3-(2-{1-[(4-{2-[2-(2-クロロ-3-{[3-(1-クロロエチル)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}-2,5-ジメトキシフェニル)カルバモイル]-2-オキソプロピル}ジアゼン-1-イル)-N-[3-(1-クロロエチル)フェニル]ベンズアミド
  • 2-chloro-3-(2-{1-[(4-{2-[2-(2-chloro-3-{[3-(1-chloroethyl)phenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-2,5-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[3-(1-chloroethyl)phenyl]benzamide
Other name (1):
  • 3,3′-[2,5-Dimethoxy-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(1-chloroethyl)phenyl]-2-chlorobenzamide]
Regulation number (1):
  • (3)-3023
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