Chem
J-GLOBAL ID:200907050562698440   Nikkaji number:J1.922.672G

N-[1-Methyl-2-(1-methyl-5-carbamoyl-1H-pyrrole-3-ylcarbamoyl)-1H-imidazole-4-yl]-4-[3-[6-[6-(4-methylpiperazino)-1H-benzimidazole-2-yl]-1H-benzimidazole-2-yl]phenoxy]butanamide

N-[1-メチル-2-(1-メチル-5-カルバモイル-1H-ピロール-3-イルカルバモイル)-1H-イミダゾール-4-イル]-4-[3-[6-[6-(4-メチルピペラジノ)-1H-ベンゾイミダゾール-2-イル]-1H-ベンゾイミダゾール-2-イル]フェノキシ]ブタンアミド
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: C40H42N12O4
Molecular formula furigana: C40-H42-N12-O4
Molecular weight: 754.856
InChI: InChI=1S/C40H42N12O4/c1-49-13-15-52(16-14-49)27-10-12-30-32(21-27)46-38(44-30)25-9-11-29-31(19-25)45-37(43-29)24-6-4-7-28(18-24)56-17-5-8-35(53)47-34-23-51(3)39(48-34)40(55)42-26-20-33(36(41)54)50(2)22-26/h4,6-7,9-12,18-23H,5,8,13-17H2,1-3H3,(H2,41,54)(H,42,55)(H,43,45)(H,44,46)(H,47,53)
InChI key: NQGRNZAAQPVPSB-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c1ccc2nc([nH]c2c1)c1ccc2nc([nH]c2c1)c1cccc(OCCCC(=O)Nc2cn(C)c(n2)C(=O)Nc2cc(C(=O)N)n(C)c2)c1
Systematic name  (3):
  • N-[1-メチル-2-(1-メチル-5-カルバモイル-1H-ピロール-3-イルカルバモイル)-1H-イミダゾール-4-イル]-4-[3-[6-[6-(4-メチルピペラジノ)-1H-ベンゾイミダゾール-2-イル]-1H-ベンゾイミダゾール-2-イル]フェノキシ]ブタンアミド
  • N-(5-カルバモイル-1-メチル-1H-ピロール-3-イル)-1-メチル-4-[4-(3-{6-[6-(4-メチルピペラジン-1-イル)-1H-1,3-ベンゾジアゾール-2-イル]-1H-1,3-ベンゾジアゾール-2-イル}フェノキシ)ブタンアミド]-1H-イミダゾール-2-カルボキサミド
  • N-(5-carbamoyl-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]-1H-imidazole-2-carboxamide
Other name (1):
  • N-[1-Methyl-2-(1-methyl-5-carbamoyl-1H-pyrrole-3-ylcarbamoyl)-1H-imidazole-4-yl]-4-[3-[6-[6-(4-methylpiperazino)-1H-benzimidazole-2-yl]-1H-benzimidazole-2-yl]phenoxy]butanamide
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