Chem
J-GLOBAL ID：200907081103759587   Nikkaji number：J1.024.659H

3-Fluoro-5-[[4-[4-(diisopropylamino)butyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one

3-フルオロ-5-[[4-[4-(ジイソプロピルアミノ)ブチル]フェニル]アセチル]-5H-ジベンゾ[b,e][1,4]ジアゼピン-11(10H)-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： C31H36FN3O2
Molecular formula furigana： C31-H36-F-N3-O2
Molecular weight： 501.646
InChI： InChI=1S/C31H36FN3O2/c1-21(2)34(22(3)4)18-8-7-9-23-12-14-24(15-13-23)19-30(36)35-28-11-6-5-10-27(28)33-31(37)26-17-16-25(32)20-29(26)35/h5-6,10-17,20-22H,7-9,18-19H2,1-4H3,(H,33,37)
InChI key： GCENOVAMIJAFME-UHFFFAOYSA-N
SMILES： CC(C)N(CCCCc1ccc(CC(=O)n2c3ccccc3[nH]c(=O)c3ccc(F)cc23)cc1)C(C)C
Systematic name  (3)：
  • 3-フルオロ-5-[[4-[4-(ジイソプロピルアミノ)ブチル]フェニル]アセチル]-5H-ジベンゾ[b,e][1,4]ジアゼピン-11(10H)-オン
  • 2-[2-(4-{4-[ビス(プロパン-2-イル)アミノ]ブチル}フェニル)アセチル]-14-フルオロ-2,9-ジアザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-10-オン
  • 2-[2-(4-{4-[bis(propan-2-yl)amino]butyl}phenyl)acetyl]-14-fluoro-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
Other name (1)：
  • 3-Fluoro-5-[[4-[4-(diisopropylamino)butyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one
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