Chem
J-GLOBAL ID:200907068524509850   Nikkaji number:J1.737.410I

3-[3-[4-[2-(3-tert-Butylphenoxy)tetradecanoylamino]phenyl]propyl]-7-[2-methyl-4-[2-(mesylamino)ethylethylamino]phenylimino]-6-methyl-7H-pyrazolo[5,1-c][1,2,4]triazole

3-[3-[4-[2-(3-tert-ブチルフェノキシ)テトラデカノイルアミノ]フェニル]プロピル]-7-[2-メチル-4-[2-(メシルアミノ)エチルエチルアミノ]フェニルイミノ]-6-メチル-7H-ピラゾロ[5,1-c][1,2,4]トリアゾール
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: C50H72N8O4S
Molecular formula furigana: C50-H72-N8-O4-S
Molecular weight: 881.240
InChI: InChI=1S/C50H72N8O4S/c1-9-11-12-13-14-15-16-17-18-19-25-45(62-43-24-21-23-40(36-43)50(5,6)7)49(59)52-41-29-27-39(28-30-41)22-20-26-46-54-55-48-47(38(4)56-58(46)48)53-44-32-31-42(35-37(44)3)57(10-2)34-33-51-63(8,60)61/h21,23-24,27-32,35-36,45,51H,9-20,22,25-26,33-34H2,1-8H3,(H,52,59)
InChI key: OMLLFJNFIDYBNU-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCC(Oc1cccc(c1)C(C)(C)C)C(=O)Nc1ccc(CCCc2nnc3C(=Nc4ccc(cc4C)N(CC)CCNS(=O)(=O)C)C(=Nn23)C)cc1
Systematic name  (4):
  • 3-[3-[4-[1-オキソ-2-(3-tert-ブチルフェノキシ)テトラデシルアミノ]フェニル]プロピル]-6-メチル-7-[2-メチル-4-[2-(メチルスルホニルアミノ)エチルエチルアミノ]フェニルイミノ]-7H-ピラゾロ[5,1-c][1,2,4]トリアゾール
  • 3-[3-[4-[2-(3-tert-ブチルフェノキシ)テトラデカノイルアミノ]フェニル]プロピル]-7-[2-メチル-4-[2-(メシルアミノ)エチルエチルアミノ]フェニルイミノ]-6-メチル-7H-ピラゾロ[5,1-c][1,2,4]トリアゾール
  • 2-(3-tert-ブチルフェノキシ)-N-(4-{3-[7-({4-[エチル(2-メタンスルホンアミドエチル)アミノ]-2-メチルフェニル}イミノ)-6-メチル-7H-ピラゾロ[3,2-c][1,2,4]トリアゾール-3-イル]プロピル}フェニル)テトラデカンアミド
  • 2-(3-tert-butylphenoxy)-N-(4-{3-[7-({4-[ethyl(2-methanesulfonamidoethyl)amino]-2-methylphenyl}imino)-6-methyl-7H-pyrazolo[3,2-c][1,2,4]triazol-3-yl]propyl}phenyl)tetradecanamide
Other name (2):
  • 3-[3-[4-[1-Oxo-2-(3-tert-butylphenoxy)tetradecylamino]phenyl]propyl]-6-methyl-7-[2-methyl-4-[2-(methylsulfonylamino)ethylethylamino]phenylimino]-7H-pyrazolo[5,1-c][1,2,4]triazole
  • 3-[3-[4-[2-(3-tert-Butylphenoxy)tetradecanoylamino]phenyl]propyl]-7-[2-methyl-4-[2-(mesylamino)ethylethylamino]phenylimino]-6-methyl-7H-pyrazolo[5,1-c][1,2,4]triazole
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