Chem
J-GLOBAL ID：200907002348217081   Nikkaji number：J1.580.854C

1-(β-Chlorophenethyl)-4-(hexahydro-1H-azepine-1-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester

エチル 4-(アゼパン-1-イル)-1-(2-クロロ-2-フェニルエチル)-1H-ピラゾロ[3,4-b]ピリジン-5-カルボキシラート
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： C23H27ClN4O2
Molecular formula furigana： C23-H27-CL-N4-O2
Molecular weight： 426.950
InChI： InChI=1S/C23H27ClN4O2/c1-2-30-23(29)19-14-25-22-18(21(19)27-12-8-3-4-9-13-27)15-26-28(22)16-20(24)17-10-6-5-7-11-17/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3
InChI key： BOORXVUWVWWNBQ-UHFFFAOYSA-N
SMILES： CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCCCC1
Systematic name  (3)：
  • 1-(β-クロロフェネチル)-4-(ヘキサヒドロ-1H-アゼピン-1-イル)-1H-ピラゾロ[3,4-b]ピリジン-5-カルボン酸エチル
  • エチル 4-(アゼパン-1-イル)-1-(2-クロロ-2-フェニルエチル)-1H-ピラゾロ[3,4-b]ピリジン-5-カルボキシラート
  • ethyl 4-(azepan-1-yl)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Other name (1)：
  • 1-(β-Chlorophenethyl)-4-(hexahydro-1H-azepine-1-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
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