Chem
J-GLOBAL ID：200907018990663110   Nikkaji number：J571.559H

D-0870

D-0870
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： C24H20F6N6O2
Molecular formula furigana： C24-H20-F6-N6-O2
Molecular weight： 538.454
InChI： InChI=1S/C24H20F6N6O2/c25-17-4-7-19(20(26)9-17)23(37,10-35-14-31-13-33-35)11-36-15-32-21(34-36)8-3-16-1-5-18(6-2-16)38-12-24(29,30)22(27)28/h1-9,13-15,22,37H,10-12H2/b8-3+/t23-/m1/s1
InChI key： FZEJTXCSLUORDW-DHXBXMGCSA-N
SMILES： O[C@](Cn1cncn1)(Cn1cnc(/C=C/c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F
Systematic name  (3)：
  • (αR)-α-(2,4-ジフルオロフェニル)-3-[(E)-2-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]エテニル]-α-(1H-1,2,4-トリアゾール-1-イルメチル)-1H-1,2,4-トリアゾール-1-エタノール
  • (2R)-2-(2,4-ジフルオロフェニル)-1-{3-[(1E)-2-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]エテニル]-1H-1,2,4-トリアゾール-1-イル}-3-(1H-1,2,4-トリアゾール-1-イル)プロパン-2-オール
  • (2R)-2-(2,4-difluorophenyl)-1-{3-[(1E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1H-1,2,4-triazol-1-yl}-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
Other name (2)：
  • D-0870
  • (αR)-α-(2,4-Difluorophenyl)-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
CAS registry number： 149715-95-7
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