Chem
J-GLOBAL ID：201707007817075670   Nikkaji number：J3.605.560J

N-[3-[3-Methyl-4-[3-(5-tert-butyl-3-isoxazolyl)ureido]phenyl]-1H-pyrazole-5-yl]-4-(4-methylpiperazinomethyl)benzamide

N-[3-[3-メチル-4-[3-(5-tert-ブチル-3-イソオキサゾリル)ウレイド]フェニル]-1H-ピラゾール-5-イル]-4-(4-メチルピペラジノメチル)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： C31H38N8O3
Molecular formula furigana： C31-H38-N8-O3
Molecular weight： 570.698
InChI： InChI=1S/C31H38N8O3/c1-20-16-23(10-11-24(20)32-30(41)34-28-18-26(42-37-28)31(2,3)4)25-17-27(36-35-25)33-29(40)22-8-6-21(7-9-22)19-39-14-12-38(5)13-15-39/h6-11,16-18H,12-15,19H2,1-5H3,(H2,32,34,37,41)(H2,33,35,36,40)
InChI key： AEOFEGDYORZHFE-UHFFFAOYSA-N
SMILES： CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
Systematic name  (3)：
  • N-[3-[3-メチル-4-[3-(5-tert-ブチル-3-イソオキサゾリル)ウレイド]フェニル]-1H-ピラゾール-5-イル]-4-(4-メチルピペラジノメチル)ベンズアミド
  • N-[3-(4-{[(5-tert-ブチル-1,2-オキサゾール-3-イル)カルバモイル]アミノ}-3-メチルフェニル)-1H-ピラゾール-5-イル]-4-[(4-メチルピペラジン-1-イル)メチル]ベンズアミド
  • N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Other name (1)：
  • N-[3-[3-Methyl-4-[3-(5-tert-butyl-3-isoxazolyl)ureido]phenyl]-1H-pyrazole-5-yl]-4-(4-methylpiperazinomethyl)benzamide
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