Chem
J-GLOBAL ID:200907050508159495   Nikkaji number:J949.764A

4-[2-[4-[[(11S)-8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine]-11-yl]piperazino]-2-oxoethyl]pyridine 1-oxide

4-[2-[4-[[(11S)-8-クロロ-5,6-ジヒドロ-11H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン]-11-イル]ピペラジノ]-2-オキソエチル]ピリジン1-オキシド
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: C25H25ClN3[N+]O[O-]
Molecular formula furigana: C25-H25-CL-N4-O2
Molecular weight: 448.950
InChI: InChI=1S/C25H25ClN4O2/c26-21-5-6-22-20(17-21)4-3-19-2-1-9-27-24(19)25(22)29-14-12-28(13-15-29)23(31)16-18-7-10-30(32)11-8-18/h1-2,5-11,17,25H,3-4,12-16H2/t25-/m0/s1
InChI key: JRJBZNREZCJQCS-VWLOTQADSA-N
SMILES: [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)cc3CCc3cccnc23)cc1
Systematic name  (3):
  • 4-[2-[4-[[(11S)-8-クロロ-5,6-ジヒドロ-11H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン]-11-イル]ピペラジノ]-2-オキソエチル]ピリジン1-オキシド
  • 4-(2-{4-[(2S)-13-クロロ-4-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-2-イル]ピペラジン-1-イル}-2-オキソエチル)ピリジン-1-イウム-1-オラート
  • 4-(2-{4-[(2S)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl]piperazin-1-yl}-2-oxoethyl)pyridin-1-ium-1-olate
Other name (1):
  • 4-[2-[4-[[(11S)-8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine]-11-yl]piperazino]-2-oxoethyl]pyridine 1-oxide
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