Chem
J-GLOBAL ID:200907016682724653   Nikkaji number:J184.965D

3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(chloromethyl)-2-methoxyphenyl]-4-chlorobenzamide]

3,3′-[2-(2-クロロエチル)-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-[3-(クロロメチル)-2-メトキシフェニル]-4-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: C46H41Cl5N8O8
Molecular formula furigana: C46-H41-CL5-N8-O8
Molecular weight: 1011.130
InChI: InChI=1S/C46H41Cl5N8O8/c1-24(60)39(58-56-37-20-27(11-14-32(37)50)43(62)54-35-9-5-7-29(22-48)41(35)66-3)45(64)52-31-13-16-34(26(19-31)17-18-47)53-46(65)40(25(2)61)59-57-38-21-28(12-15-33(38)51)44(63)55-36-10-6-8-30(23-49)42(36)67-4/h5-16,19-21,39-40H,17-18,22-23H2,1-4H3,(H,52,64)(H,53,65)(H,54,62)(H,55,63)
InChI key: SGPWQGGYOPXTAW-UHFFFAOYSA-N
SMILES: COc1c(CCl)cccc1NC(=O)c1ccc(Cl)c(c1)N=NC(C(=O)C)C(=O)Nc1ccc(NC(=O)C(N=Nc2cc(ccc2Cl)C(=O)Nc2cccc(CCl)c2OC)C(=O)C)c(CCCl)c1
Systematic name  (3):
  • 3,3′-[2-(2-クロロエチル)-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-[3-(クロロメチル)-2-メトキシフェニル]-4-クロロベンズアミド]
  • 4-クロロ-3-(2-{1-[(4-{2-[2-(2-クロロ-5-{[3-(クロロメチル)-2-メトキシフェニル]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}-3-(2-クロロエチル)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)-N-[3-(クロロメチル)-2-メトキシフェニル]ベンズアミド
  • 4-chloro-3-(2-{1-[(4-{2-[2-(2-chloro-5-{[3-(chloromethyl)-2-methoxyphenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-3-(2-chloroethyl)phenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[3-(chloromethyl)-2-methoxyphenyl]benzamide
Other name (1):
  • 3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(chloromethyl)-2-methoxyphenyl]-4-chlorobenzamide]
Regulation number (1):
  • (3)-3020
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