Chem
J-GLOBAL ID：201207059732982370   Nikkaji number：J3.066.234B

4-[(S)-2-[3-[3-(Acetylamino)phenyl]-1H-pyrazole-1-yl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyridine 1-oxide

4-[(S)-2-[3-[3-(アセチルアミノ)フェニル]-1H-ピラゾール-1-イル]-2-[3-(シクロプロピルメトキシ)-4-(ジフルオロメトキシ)フェニル]エチル]ピリジン1-オキシド
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： C29H28F2N3[N+]O3[O-]
Molecular formula furigana： C29-H28-F2-N4-O4
Molecular weight： 534.564
InChI： InChI=1S/C29H28F2N4O4/c1-19(36)32-24-4-2-3-22(16-24)25-11-14-35(33-25)26(15-20-9-12-34(37)13-10-20)23-7-8-27(39-29(30)31)28(17-23)38-18-21-5-6-21/h2-4,7-14,16-17,21,26,29H,5-6,15,18H2,1H3,(H,32,36)/t26-/m0/s1
InChI key： QEFVLMGONWRDJH-SANMLTNESA-N
SMILES： CC(=O)Nc1cccc(c1)c1ccn(n1)[C@@H](Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OCC2CC2)c1
Systematic name  (3)：
  • 4-[(S)-2-[3-[3-(アセチルアミノ)フェニル]-1H-ピラゾール-1-イル]-2-[3-(シクロプロピルメトキシ)-4-(ジフルオロメトキシ)フェニル]エチル]ピリジン1-オキシド
  • 4-[(2S)-2-[3-(シクロプロピルメトキシ)-4-(ジフルオロメトキシ)フェニル]-2-[3-(3-アセトアミドフェニル)-1H-ピラゾール-1-イル]エチル]ピリジン-1-イウム-1-オラート
  • 4-[(2S)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-[3-(3-acetamidophenyl)-1H-pyrazol-1-yl]ethyl]pyridin-1-ium-1-olate
Other name (1)：
  • 4-[(S)-2-[3-[3-(Acetylamino)phenyl]-1H-pyrazole-1-yl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyridine 1-oxide
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