Chem
J-GLOBAL ID:200907028282971684   Nikkaji number:J1.544.070H

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

3α-メチル-5-(シクロプロピルエチニル)-5α-(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-/m0/s1
InChI key: CXFITMZADXBGRR-VFZGTOFNSA-N
SMILES: C[C@@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F
Systematic name  (3):
  • 3α-メチル-5-(シクロプロピルエチニル)-5α-(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
  • (3S,5S)-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
  • (3S,5S)-5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one
Other name (1):
  • 3α-Methyl-5-(cyclopropylethynyl)-5α-(trifluoromethyl)-7-fluoro-1,2,3,5-tetrahydro-4,1-benzoxazepine-2-one
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