Chem
J-GLOBAL ID：200907039496539536   Nikkaji number：J1.544.071F

3β-Methyl-5-(cyclopropylethynyl)-5β-(trifluoromethyl)-7-fluoro-1,2,3,5-tetrahydro-4,1-benzoxazepine-2-one

3β-メチル-5-(シクロプロピルエチニル)-5β-(トリフルオロメチル)-7-フルオロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-2-オン
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： C16H13F4NO2
Molecular formula furigana： C16-H13-F4-N-O2
Molecular weight： 327.279
InChI： InChI=1S/C16H13F4NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15-/m1/s1
InChI key： CXFITMZADXBGRR-RFAUZJTJSA-N
SMILES： C[C@H]1O[C@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F
Systematic name  (3)：
  • 3β-メチル-5-(シクロプロピルエチニル)-5β-(トリフルオロメチル)-7-フルオロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-2-オン
  • (3R,5R)-5-(2-シクロプロピルエチニル)-7-フルオロ-3-メチル-5-(トリフルオロメチル)-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-2-オン
  • (3R,5R)-5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one
Other name (1)：
  • 3β-Methyl-5-(cyclopropylethynyl)-5β-(trifluoromethyl)-7-fluoro-1,2,3,5-tetrahydro-4,1-benzoxazepine-2-one
Thsaurus map：
Thesaurus Map

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