Chem
J-GLOBAL ID：201607020296757051   Nikkaji number：J3.524.806D

1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-(α-(Boc-amino)benzyl)-3,3,4,4-tetrafluoro-4-bromo-1-butanone

1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-(α-(Boc-アミノ)ベンジル)-3,3,4,4-テトラフルオロ-4-ブロモ-1-ブタノン
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： C23H24BrF4N3O3
Molecular formula furigana： C23-H24-BR-F4-N3-O3
Molecular weight： 546.361
InChI： InChI=1S/C23H24BrF4N3O3/c1-21(2,3)34-20(33)30-17(14-8-5-4-6-9-14)16(22(25,26)23(24,27)28)19(32)31-13-11-15-10-7-12-29-18(15)31/h4-10,12,16-17H,11,13H2,1-3H3,(H,30,33)
InChI key： WZIVDXXSMUEDHD-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)NC(C(C(=O)N1CCc2cccnc12)C(F)(F)C(F)(F)Br)c1ccccc1
Systematic name  (3)：
  • 1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-(α-(Boc-アミノ)ベンジル)-3,3,4,4-テトラフルオロ-4-ブロモ-1-ブタノン
  • tert-ブチル N-[2-(2-ブロモ-1,1,2,2-テトラフルオロエチル)-3-オキソ-1-フェニル-3-{1H,2H,3H-ピロロ[2,3-b]ピリジン-1-イル}プロピル]カルバマート
  • tert-butyl N-[2-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-oxo-1-phenyl-3-{1H,2H,3H-pyrrolo[2,3-b]pyridin-1-yl}propyl]carbamate
Other name (1)：
  • 1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-(α-(Boc-amino)benzyl)-3,3,4,4-tetrafluoro-4-bromo-1-butanone
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