Chem
J-GLOBAL ID：201907018869093622   Nikkaji number：J3.739.179D

BAY-876

N′-[1-(4-シアノベンジル)-3-(トリフルオロメチル)-5-メチル-1H-ピラゾール-4-イル]-7-フルオロキノリン-2,4-ジカルボアミド
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： C24H16F4N6O2
Molecular formula furigana： C24-H16-F4-N6-O2
Molecular weight： 496.426
InChI： InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)
InChI key： BKLJDIJJOOQUFG-UHFFFAOYSA-N
SMILES： c1(cc2c(cc1)c(cc(n2)C(=O)N)C(=O)Nc1c(nn(c1C)Cc1ccc(cc1)C#N)C(F)(F)F)F
Systematic name  (3)：
  • N′-[1-(4-シアノベンジル)-3-(トリフルオロメチル)-5-メチル-1H-ピラゾール-4-イル]-7-フルオロキノリン-2,4-ジカルボアミド
  • N4-{1-[(4-シアノフェニル)メチル]-5-メチル-3-(トリフルオロメチル)-1H-ピラゾール-4-イル}-7-フルオロキノリン-2,4-ジカルボキサミド
  • N4-{1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-7-fluoroquinoline-2,4-dicarboxamide
Other name (1)：
  • BAY-876
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