Chem
J-GLOBAL ID：200907020697905910   Nikkaji number：J2.048.110B

1-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-3-fluoro-6-nitrophenyl]piperidine-4-carboxylic acid

1-[2-[3-(トリフルオロメチル)-4-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニルアミノメチル]-3-フルオロ-6-ニトロフェニル]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： C31H30F7N4[N+]O3[O-]
Molecular formula furigana： C31-H30-F7-N5-O4
Molecular weight： 669.601
InChI： InChI=1S/C31H30F7N5O4/c32-25-5-7-27(43(46)47)28(42-10-8-19(9-11-42)29(44)45)23(25)18-39-21-4-6-26(24(17-21)31(36,37)38)41-14-12-40(13-15-41)22-3-1-2-20(16-22)30(33,34)35/h1-7,16-17,19,39H,8-15,18H2,(H,44,45)
InChI key： KESBYCVJECFLEX-UHFFFAOYSA-N
SMILES： OC(=O)C1CCN(CC1)c1c(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c(F)ccc1[N+](=O)[O-]
Systematic name  (3)：
  • 1-[2-[3-(トリフルオロメチル)-4-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニルアミノメチル]-3-フルオロ-6-ニトロフェニル]ピペリジン-4-カルボン酸
  • 1-[3-フルオロ-6-ニトロ-2-({[3-(トリフルオロメチル)-4-{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]アミノ}メチル)フェニル]ピペリジン-4-カルボン酸
  • 1-[3-fluoro-6-nitro-2-({[3-(trifluoromethyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl]amino}methyl)phenyl]piperidine-4-carboxylic acid
Other name (1)：
  • 1-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-3-fluoro-6-nitrophenyl]piperidine-4-carboxylic acid
Thsaurus map：
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