Chem
J-GLOBAL ID：200907062757756370   Nikkaji number：J1.024.674A

2-Chloro-5-[[4-[4-[(ethyl)(2,2-dimethylpentanoyl)amino]butyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one

2-クロロ-5-[[4-[4-[(エチル)(2,2-ジメチルペンタノイル)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： C34H40ClN3O3
Molecular formula furigana： C34-H40-CL-N3-O3
Molecular weight： 574.160
InChI： InChI=1S/C34H40ClN3O3/c1-5-20-34(3,4)33(41)37(6-2)21-10-9-11-24-14-16-25(17-15-24)22-31(39)38-29-19-18-26(35)23-27(29)32(40)36-28-12-7-8-13-30(28)38/h7-8,12-19,23H,5-6,9-11,20-22H2,1-4H3,(H,36,40)
InChI key： KDAVTLCXJBWCMF-UHFFFAOYSA-N
SMILES： CCCC(C)(C)C(=O)N(CC)CCCCc1ccc(CC(=O)n2c3ccccc3[nH]c(=O)c3cc(Cl)ccc23)cc1
Systematic name  (3)：
  • 2-クロロ-5-[[4-[4-[(エチル)(2,2-ジメチルペンタノイル)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
  • N-{4-[4-(2-{13-クロロ-10-オキソ-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-2-イル}-2-オキソエチル)フェニル]ブチル}-N-エチル-2,2-ジメチルペンタンアミド
  • N-{4-[4-(2-{13-chloro-10-oxo-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-oxoethyl)phenyl]butyl}-N-ethyl-2,2-dimethylpentanamide
Other name (1)：
  • 2-Chloro-5-[[4-[4-[(ethyl)(2,2-dimethylpentanoyl)amino]butyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one
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