Chem
J-GLOBAL ID：200907003820265504   Nikkaji number：J363.969J

WAY-120491

WAY-120491
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： C20H18F3NO4
Molecular formula furigana： C20-H18-F3-N-O4
Molecular weight： 393.362
InChI： InChI=1S/C20H18F3NO4/c1-19(2)17(25)16(24-10-11-5-3-4-6-13(11)18(24)26)14-9-12(27-20(21,22)23)7-8-15(14)28-19/h3-9,16-17,25H,10H2,1-2H3/t16-,17+/m1/s1
InChI key： ZORATYFUTXFLJS-SJORKVTESA-N
SMILES： CC1(C)Oc2ccc(OC(F)(F)F)cc2[C@H]([C@@H]1O)N1Cc2ccccc2C1=O
Systematic name  (3)：
  • 2-[[(3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-6-(トリフルオロメトキシ)-2H-1-ベンゾピラン]-4α-イル]-2,3-ジヒドロ-1H-イソインドール-1-オン
  • 2-[(3S,4R)-3-ヒドロキシ-2,2-ジメチル-6-(トリフルオロメトキシ)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2,3-ジヒドロ-1H-イソインドール-1-オン
  • 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-2,3-dihydro-1H-isoindol-1-one
Other name (4)：
  • WAY-120491
  • 2-[[(3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-2H-1-benzopyran]-4α-yl]-2,3-dihydro-1H-isoindol-1-one
  • セリカリム
  • Celikalim
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