Chem
J-GLOBAL ID：200907002006600754   Nikkaji number：J1.872.553C

4-[(3S)-4-[(S)-4-(Trifluoromethyl)-α-methylbenzyl]-3-methyl-piperazino]-4-methylpiperidino 4,6-dimethyl-5-pyrimidinyl ketone

4-[(3S)-4-[(S)-4-(トリフルオロメチル)-α-メチルベンジル]-3-メチル-ピペラジノ]-4-メチルピペリジノ4,6-ジメチル-5-ピリミジニルケトン
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： C27H36F3N5O
Molecular formula furigana： C27-H36-F3-N5-O
Molecular weight： 503.614
InChI： InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1
InChI key： HMBFXHIQISYDKM-RXVVDRJESA-N
SMILES： C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • 4-[(3S)-4-[(S)-4-(トリフルオロメチル)-α-メチルベンジル]-3-メチル-ピペラジノ]-4-メチルピペリジノ4,6-ジメチル-5-ピリミジニルケトン
  • 4,6-ジメチル-5-{4-メチル-4-[(3S)-3-メチル-4-[(1S)-1-[4-(トリフルオロメチル)フェニル]エチル]ピペラジン-1-イル]ピペリジン-1-カルボニル}ピリミジン
  • 4,6-dimethyl-5-{4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidine-1-carbonyl}pyrimidine
Other name (1)：
  • 4-[(3S)-4-[(S)-4-(Trifluoromethyl)-α-methylbenzyl]-3-methyl-piperazino]-4-methylpiperidino 4,6-dimethyl-5-pyrimidinyl ketone
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