Chem
J-GLOBAL ID：200907025304272026   Nikkaji number：J326.599D

PK-14105

PK-14105
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： C21H20FN2[N+]O2[O-]
Molecular formula furigana： C21-H20-F-N3-O3
Molecular weight： 381.407
InChI： InChI=1S/C21H20FN3O3/c1-4-13(2)24(3)21(26)19-11-14-7-5-6-8-16(14)20(23-19)17-12-15(25(27)28)9-10-18(17)22/h5-13H,4H2,1-3H3
InChI key： GXXKDYZSBGOJQN-UHFFFAOYSA-N
SMILES： CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c1cc(ccc1F)[N+](=O)[O-]
Systematic name  (3)：
  • 1-(2-フルオロ-5-ニトロフェニル)-N-メチル-N-(1-メチルプロピル)-3-イソキノリンカルボアミド
  • N-(ブタン-2-イル)-1-(2-フルオロ-5-ニトロフェニル)-N-メチルイソキノリン-3-カルボキサミド
  • N-(butan-2-yl)-1-(2-fluoro-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide
Other name (2)：
  • PK-14105
  • 1-(2-Fluoro-5-nitrophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CAS registry number： 107257-28-3
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