Chem
J-GLOBAL ID：200907033030303380   Nikkaji number：J746.101A

L-742694

L-742694
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： C22H20F6N4O3
Molecular formula furigana： C22-H20-F6-N4-O3
Molecular weight： 502.417
InChI： InChI=1S/C22H20F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-35-19-18(14-4-2-1-3-5-14)32(6-7-34-19)11-17-29-20(33)31-30-17/h1-5,8-10,18-19H,6-7,11-12H2,(H2,29,30,31,33)/t18-,19+/m0/s1
InChI key： OYKIXMQKLMUJEK-RBUKOAKNSA-N
SMILES： FC(F)(F)c1cc(CO[C@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Systematic name  (3)：
  • 5-[[(2S,3S)-2-[[3,5-ビス(トリフルオロメチル)フェニル]メトキシ]-3-フェニルモルホリン-4-イル]メチル]-2H-1,2,4-トリアゾール-3(4H)-オン
  • 3-{[(2S,3S)-2-{[3,5-ビス(トリフルオロメチル)フェニル]メトキシ}-3-フェニルモルホリン-4-イル]メチル}-4,5-ジヒドロ-1H-1,2,4-トリアゾール-5-オン
  • 3-{[(2S,3S)-2-{[3,5-bis(trifluoromethyl)phenyl]methoxy}-3-phenylmorpholin-4-yl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
Other name (2)：
  • L-742694
  • 5-[[(2S,3S)-2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]methyl]-2H-1,2,4-triazol-3(4H)-one
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