Chem
J-GLOBAL ID：201607018701715502   Nikkaji number：J3.477.811F

8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[[3-(3-methylbutyryloxy)phenyl]acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5α-acetic acid

8-(トリフルオロメチル)-2,3,4,5-テトラヒドロ-4-[[3-(3-メチルブチリルオキシ)フェニル]アセチル]-1H-ピリド[2,3-e][1,4]ジアゼピン-5α-酢酸
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： C24H26F3N3O5
Molecular formula furigana： C24-H26-F3-N3-O5
Molecular weight： 493.483
InChI： InChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1
InChI key： CJLZUKCACMUYFP-GOSISDBHSA-N
SMILES： CC(C)CC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(=O)O)C(F)(F)F)c1
Systematic name  (3)：
  • 8-(トリフルオロメチル)-2,3,4,5-テトラヒドロ-4-[[3-(3-メチルブチリルオキシ)フェニル]アセチル]-1H-ピリド[2,3-e][1,4]ジアゼピン-5α-酢酸
  • 2-[(5R)-4-(2-{3-[(3-メチルブタノイル)オキシ]フェニル}アセチル)-8-(トリフルオロメチル)-1H,2H,3H,4H,5H-ピリド[2,3-e][1,4]ジアゼピン-5-イル]酢酸
  • 2-[(5R)-4-(2-{3-[(3-methylbutanoyl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Other name (1)：
  • 8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[[3-(3-methylbutyryloxy)phenyl]acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5α-acetic acid
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