Chem
J-GLOBAL ID:200907051475918715   Nikkaji number:J1.231.978I

4,5-Dihydro-1-(2-hydroxyethyl)-3β-acetoxy-4β-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-1-benzazepine-2(3H)-one

4,5-ジヒドロ-1-(2-ヒドロキシエチル)-3β-アセトキシ-4β-(4-メトキシフェニル)-6-(トリフルオロメチル)-1H-1-ベンゾアゼピン-2(3H)-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: C22H22F3NO5
Molecular formula furigana: C22-H22-F3-N-O5
Molecular weight: 437.415
InChI: InChI=1S/C22H22F3NO5/c1-13(28)31-20-16(14-6-8-15(30-2)9-7-14)12-17-18(22(23,24)25)4-3-5-19(17)26(10-11-27)21(20)29/h3-9,16,20,27H,10-12H2,1-2H3/t16-,20+/m1/s1
InChI key: RRIYFTKUPXAPIO-UZLBHIALSA-N
SMILES: COc1ccc(cc1)[C@H]1Cc2c(cccc2C(F)(F)F)N(CCO)C(=O)[C@H]1OC(=O)C
Systematic name  (3):
  • 4,5-ジヒドロ-1-(2-ヒドロキシエチル)-3β-アセトキシ-4β-(4-メトキシフェニル)-6-(トリフルオロメチル)-1H-1-ベンゾアゼピン-2(3H)-オン
  • (3S,4R)-1-(2-ヒドロキシエチル)-4-(4-メトキシフェニル)-2-オキソ-6-(トリフルオロメチル)-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-3-イル アセタート
  • (3S,4R)-1-(2-hydroxyethyl)-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl acetate
Other name (1):
  • 4,5-Dihydro-1-(2-hydroxyethyl)-3β-acetoxy-4β-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-1-benzazepine-2(3H)-one
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