Chem
J-GLOBAL ID：201107012113912827   Nikkaji number：J2.991.385D

N-[2-Fluoro-3-(trifluoromethyl)phenyl]-3-[[2-(4-piperazinoanilino)-4-methoxypyrimidine-5-yl]carbonylamino]-4-methylbenzamide

N-[2-フルオロ-3-(トリフルオロメチル)フェニル]-3-[[2-(4-ピペラジノアニリノ)-4-メトキシピリミジン-5-イル]カルボニルアミノ]-4-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： C31H29F4N7O3
Molecular formula furigana： C31-H29-F4-N7-O3
Molecular weight： 623.613
InChI： InChI=1S/C31H29F4N7O3/c1-18-6-7-19(27(43)39-24-5-3-4-23(26(24)32)31(33,34)35)16-25(18)40-28(44)22-17-37-30(41-29(22)45-2)38-20-8-10-21(11-9-20)42-14-12-36-13-15-42/h3-11,16-17,36H,12-15H2,1-2H3,(H,39,43)(H,40,44)(H,37,38,41)
InChI key： RZSXAGWVTKQZAS-UHFFFAOYSA-N
SMILES： COc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1F)C(F)(F)F
Systematic name  (3)：
  • N-[2-フルオロ-3-(トリフルオロメチル)フェニル]-3-[[2-(4-ピペラジノアニリノ)-4-メトキシピリミジン-5-イル]カルボニルアミノ]-4-メチルベンズアミド
  • N-(5-{[2-フルオロ-3-(トリフルオロメチル)フェニル]カルバモイル}-2-メチルフェニル)-4-メトキシ-2-{[4-(ピペラジン-1-イル)フェニル]アミノ}ピリミジン-5-カルボキサミド
  • N-(5-{[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)-4-methoxy-2-{[4-(piperazin-1-yl)phenyl]amino}pyrimidine-5-carboxamide
Other name (1)：
  • N-[2-Fluoro-3-(trifluoromethyl)phenyl]-3-[[2-(4-piperazinoanilino)-4-methoxypyrimidine-5-yl]carbonylamino]-4-methylbenzamide
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