Chem
J-GLOBAL ID：200907006232572203   Nikkaji number：J2.412.178J

4-[3-(Trifluoromethyl)-5-(2-phenanthrenyl)-1H-pyrazole-1-yl]phenylcarbamoylmethylammonium

4-[3-(トリフルオロメチル)-5-(2-フェナントレニル)-1H-ピラゾール-1-イル]フェニルカルバモイルメチルアンモニウム
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： C26H20F3N3[N+]O
Molecular formula furigana： C26-H20-F3-N4-O
Molecular weight： 461.468
InChI： InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)/p+1
InChI key： YULUCECVQOCQFQ-UHFFFAOYSA-O
SMILES： [NH3+]CC(=O)Nc1ccc(cc1)n1nc(cc1c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
Systematic name  (3)：
  • 4-[3-(トリフルオロメチル)-5-(2-フェナントレニル)-1H-ピラゾール-1-イル]フェニルカルバモイルメチルアンモニウム
  • ({4-[5-(フェナントレン-2-イル)-3-(トリフルオロメチル)-1H-ピラゾール-1-イル]フェニル}カルバモイル)メタンアミニウム
  • ({4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}carbamoyl)methanaminium
Other name (1)：
  • 4-[3-(Trifluoromethyl)-5-(2-phenanthrenyl)-1H-pyrazole-1-yl]phenylcarbamoylmethylammonium
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