Chem
J-GLOBAL ID：201507005264353512   Nikkaji number：J3.394.129C

(3S)-N-[3-(Trifluoromethoxy)benzyl]-1-[2-(3,4,5-trimethoxyphenylamino)pyrimidine-4-yl]piperidine-3-carboxamide

(3S)-N-[3-(トリフルオロメトキシ)ベンジル]-1-[2-(3,4,5-トリメトキシフェニルアミノ)ピリミジン-4-イル]ピペリジン-3-カルボアミド
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： C27H30F3N5O5
Molecular formula furigana： C27-H30-F3-N5-O5
Molecular weight： 561.562
InChI： InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
InChI key： LDRVTAIULYJYRP-SFHVURJKSA-N
SMILES： COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC
Systematic name  (3)：
  • (3S)-N-[3-(トリフルオロメトキシ)ベンジル]-1-[2-(3,4,5-トリメトキシフェニルアミノ)ピリミジン-4-イル]ピペリジン-3-カルボアミド
  • (3S)-N-{[3-(トリフルオロメトキシ)フェニル]メチル}-1-{2-[(3,4,5-トリメトキシフェニル)アミノ]ピリミジン-4-イル}ピペリジン-3-カルボキサミド
  • (3S)-N-{[3-(trifluoromethoxy)phenyl]methyl}-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
Other name (1)：
  • (3S)-N-[3-(Trifluoromethoxy)benzyl]-1-[2-(3,4,5-trimethoxyphenylamino)pyrimidine-4-yl]piperidine-3-carboxamide
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