Chem
J-GLOBAL ID：200907069018326973   Nikkaji number：J1.178.831I

REC-0-0250

1-(アゼパン-1-イル)-4-[4-(2,3-ジヒドロ-1,4-ベンゾジオキシン-5-イル)ピペラジン-1-イル]-2-フェニルブタン-1-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： C28H37N3O3
Molecular formula furigana： C28-H37-N3-O3
Molecular weight： 463.622
InChI： InChI=1S/C28H37N3O3/c32-28(31-14-6-1-2-7-15-31)24(23-9-4-3-5-10-23)13-16-29-17-19-30(20-18-29)25-11-8-12-26-27(25)34-22-21-33-26/h3-5,8-12,24H,1-2,6-7,13-22H2
InChI key： XKAPUBNYDSGFMD-UHFFFAOYSA-N
SMILES： O=C(C(CCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1)N1CCCCCC1
Systematic name  (3)：
  • 1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-5-イル)-4-[3-フェニル-4-オキソ-4-(ヘキサヒドロ-1H-アゼピン-1-イル)ブチル]ピペラジン
  • 1-(アゼパン-1-イル)-4-[4-(2,3-ジヒドロ-1,4-ベンゾジオキシン-5-イル)ピペラジン-1-イル]-2-フェニルブタン-1-オン
  • 1-(azepan-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenylbutan-1-one
Other name (2)：
  • 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-[3-phenyl-4-oxo-4-(hexahydro-1H-azepine-1-yl)butyl]piperazine
  • REC-0-0250
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