Chem
J-GLOBAL ID:200907026894285434   Nikkaji number:J184.970K

3,3′-[2-(1-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(chloromethyl)-6-methoxyphenyl]-4-chlorobenzamide]

3,3′-[2-(1-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)-6-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/c1-23(49)31-20-30(52-45(64)41(24(2)60)58-56-35-18-28(8-11-32(35)50)43(62)54-37-16-26(21-47)6-14-39(37)66-4)10-13-34(31)53-46(65)42(25(3)61)59-57-36-19-29(9-12-33(36)51)44(63)55-38-17-27(22-48)7-15-40(38)67-5/h6-20,23,41-42H,21-22H2,1-5H3,(H,52,64)(H,53,65)(H,54,62)(H,55,63)
InChI key: VHHDEOVZFASFQM-UHFFFAOYSA-N
SMILES: COc1ccc(CCl)cc1NC(=O)c1ccc(Cl)c(c1)N=NC(C(=O)C)C(=O)Nc1ccc(NC(=O)C(N=Nc2cc(ccc2Cl)C(=O)Nc2cc(CCl)ccc2OC)C(=O)C)c(c1)C(C)Cl
Systematic name  (3):
  • 3,3′-[2-(1-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)-6-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-{[5-(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-(1-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-[5-(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-{[5-(chloromethyl)-2-methoxyphenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-3-(1-chloroethyl)phenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[5-(chloromethyl)-2-methoxyphenyl]benzamide
Other name (1):
  • 3,3′-[2-(1-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(chloromethyl)-6-methoxyphenyl]-4-chlorobenzamide]
Regulation number (1):
  • (3)-3020
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