Chem
J-GLOBAL ID：200907043129562537   Nikkaji number：J1.024.680F

2-Iodo-5-[[4-[4-(diisobutylamino)butyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one

2-ヨード-5-[[4-[4-(ジイソブチルアミノ)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： C33H40IN3O2
Molecular formula furigana： C33-H40-I-N3-O2
Molecular weight： 637.606
InChI： InChI=1S/C33H40IN3O2/c1-23(2)21-36(22-24(3)4)18-8-7-9-25-12-14-26(15-13-25)19-32(38)37-30-17-16-27(34)20-28(30)33(39)35-29-10-5-6-11-31(29)37/h5-6,10-17,20,23-24H,7-9,18-19,21-22H2,1-4H3,(H,35,39)
InChI key： MIRZVHJLYSJCDC-UHFFFAOYSA-N
SMILES： CC(C)CN(CCCCc1ccc(CC(=O)n2c3ccccc3[nH]c(=O)c3cc(I)ccc23)cc1)CC(C)C
Systematic name  (3)：
  • 2-ヨード-5-[[4-[4-(ジイソブチルアミノ)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(2-メチルプロピル)アミノ]ブチル}フェニル)アセチル]-13-ヨード-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(2-methylpropyl)amino]butyl}phenyl)acetyl]-13-iodo-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
Other name (1)：
  • 2-Iodo-5-[[4-[4-(diisobutylamino)butyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one
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