Chem
J-GLOBAL ID：200907007795122731   Nikkaji number：J847.821J

PD-168077

PD-168077
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： C20H22N4O
Molecular formula furigana： C20-H22-N4-O
Molecular weight： 334.423
InChI： InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
InChI key： DNULYRGWTFLJQL-UHFFFAOYSA-N
SMILES： Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Systematic name  (5)：
  • 3-メチル-N-[[4-(2-シアノフェニル)ピペラジノ]メチル]ベンズアミド
  • N-[4-(2-シアノフェニル)ピペラジノメチル]-3-メチルベンズアミド
  • N-[[4-(2-シアノフェニル)ピペラジノ]メチル]-3-メチルベンズアミド
  • N-{[4-(2-シアノフェニル)ピペラジン-1-イル]メチル}-3-メチルベンズアミド
  • N-{[4-(2-cyanophenyl)piperazin-1-yl]methyl}-3-methylbenzamide
Other name (5)：
  • 3-Methyl-N-[[4-(2-cyanophenyl)piperazino]methyl]benzamide
  • N-[4-(2-Cyanophenyl)piperazinomethyl]-3-methylbenzamide
  • PD168077
  • N-[[4-(2-Cyanophenyl)piperazino]methyl]-3-methylbenzamide
  • PD-168077
CAS registry number： 190383-31-4
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