Chem
J-GLOBAL ID:200907025651131017   Nikkaji number:J185.206J

3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(1-chloroethyl)-4-methoxyphenyl]-5-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-(1-クロロエチル)-4-メトキシフェニル]-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: C48H45Cl5N8O8
Molecular formula furigana: C48-H45-CL5-N8-O8
Molecular weight: 1039.190
InChI: InChI=1S/C48H45Cl5N8O8/c1-24(50)38-22-34(8-11-41(38)68-5)54-45(64)29-15-31(52)20-36(18-29)58-60-43(26(3)62)47(66)56-33-7-10-40(28(17-33)13-14-49)57-48(67)44(27(4)63)61-59-37-19-30(16-32(53)21-37)46(65)55-35-9-12-42(69-6)39(23-35)25(2)51/h7-12,15-25,43-44H,13-14H2,1-6H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)
InChI key: JFMCNVUXTCPUAB-UHFFFAOYSA-N
SMILES: COc1ccc(NC(=O)c2cc(Cl)cc(c2)N=NC(C(=O)C)C(=O)Nc2ccc(NC(=O)C(N=Nc3cc(Cl)cc(c3)C(=O)Nc3ccc(OC)c(c3)C(C)Cl)C(=O)C)c(CCCl)c2)cc1C(C)Cl
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-(1-クロロエチル)-4-メトキシフェニル]-5-クロロベンズアミド]
  • 3-クロロ-5-(2-{1-[(4-{2-[2-(3-クロロ-5-{[3-(1-クロロエチル)-4-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-(1-クロロエチル)-4-メトキシフェニル]ベンズアミド
  • 3-chloro-5-(2-{1-[(4-{2-[2-(3-chloro-5-{[3-(1-chloroethyl)-4-methoxyphenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-3-(2-chloroethyl)phenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[3-(1-chloroethyl)-4-methoxyphenyl]benzamide
Other name (1):
  • 3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(1-chloroethyl)-4-methoxyphenyl]-5-chlorobenzamide]
Regulation number (1):
  • (3)-3020
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