Chem
J-GLOBAL ID：200907059437257510   Nikkaji number：J2.048.108K

1-[2-(Trifluoromethyl)-4-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazino]phenyl]piperidine-4-carboxylic acid

1-[2-(トリフルオロメチル)-4-ニトロ-5-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニル]ピペリジン-4-カルボン酸
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： C24H24F6N3[N+]O3[O-]
Molecular formula furigana： C24-H24-F6-N4-O4
Molecular weight： 546.470
InChI： InChI=1S/C24H24F6N4O4/c25-23(26,27)16-2-1-3-17(12-16)31-8-10-33(11-9-31)20-14-19(32-6-4-15(5-7-32)22(35)36)18(24(28,29)30)13-21(20)34(37)38/h1-3,12-15H,4-11H2,(H,35,36)
InChI key： ICNFWCBAMYPYCH-UHFFFAOYSA-N
SMILES： OC(=O)C1CCN(CC1)c1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+](=O)[O-]
Systematic name  (3)：
  • 1-[2-(トリフルオロメチル)-4-ニトロ-5-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニル]ピペリジン-4-カルボン酸
  • 1-[4-ニトロ-2-(トリフルオロメチル)-5-{4-[3-(トリフルオロメチル)フェニル]ピペラジン-1-イル}フェニル]ピペリジン-4-カルボン酸
  • 1-[4-nitro-2-(trifluoromethyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl]piperidine-4-carboxylic acid
Other name (1)：
  • 1-[2-(Trifluoromethyl)-4-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazino]phenyl]piperidine-4-carboxylic acid
Thsaurus map：
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