Chem
J-GLOBAL ID：201707009048253407   Nikkaji number：J3.601.000B

BAY-598

1-[[[3-(ジフルオロメトキシ)フェニル]アミノ](シアノイミノ)メチル]-3-(3,4-ジクロロフェニル)-4β-[エチル(ヒドロキシアセチル)アミノ]-4,5-ジヒドロ-1H-ピラゾール
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： C22H20Cl2F2N6O3
Molecular formula furigana： C22-H20-CL2-F2-N6-O3
Molecular weight： 525.340
InChI： InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1
InChI key： OTTJIRVZJJGFTK-SFHVURJKSA-N
SMILES： CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(=NC#N)Nc1cccc(OC(F)F)c1)C(=O)CO
Systematic name  (3)：
  • 1-[[[3-(ジフルオロメトキシ)フェニル]アミノ](シアノイミノ)メチル]-3-(3,4-ジクロロフェニル)-4β-[エチル(ヒドロキシアセチル)アミノ]-4,5-ジヒドロ-1H-ピラゾール
  • N-[(4S)-1-{N'-シアノ-N-[3-(ジフルオロメトキシ)フェニル]カルバムイミドイル}-3-(3,4-ジクロロフェニル)-4,5-ジヒドロ-1H-ピラゾール-4-イル]-N-エチル-2-ヒドロキシアセトアミド
  • N-[(4S)-1-{N'-cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
Other name (2)：
  • 1-[[[3-(Difluoromethoxy)phenyl]amino](cyanoimino)methyl]-3-(3,4-dichlorophenyl)-4β-[ethyl(hydroxyacetyl)amino]-4,5-dihydro-1H-pyrazole
  • BAY-598
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