Chem
J-GLOBAL ID：200907087869956943   Nikkaji number：J1.024.672E

2-Chloro-5-[[4-[3-[(ethyl)(2,2-dimethylpentanoyl)amino]propyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one

2-クロロ-5-[[4-[3-[(エチル)(2,2-ジメチルペンタノイル)アミノ]プロピル]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： C33H38ClN3O3
Molecular formula furigana： C33-H38-CL-N3-O3
Molecular weight： 560.140
InChI： InChI=1S/C33H38ClN3O3/c1-5-19-33(3,4)32(40)36(6-2)20-9-10-23-13-15-24(16-14-23)21-30(38)37-28-18-17-25(34)22-26(28)31(39)35-27-11-7-8-12-29(27)37/h7-8,11-18,22H,5-6,9-10,19-21H2,1-4H3,(H,35,39)
InChI key： ILPOCUODNQOLDP-UHFFFAOYSA-N
SMILES： CCCC(C)(C)C(=O)N(CC)CCCc1ccc(CC(=O)n2c3ccccc3[nH]c(=O)c3cc(Cl)ccc23)cc1
Systematic name  (3)：
  • 2-クロロ-5-[[4-[3-[(エチル)(2,2-ジメチルペンタノイル)アミノ]プロピル]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-{3-[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]プロピル}-N-エチル-2,2-ジメチルペンタンアミド
  • N-{3-[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]propyl}-N-ethyl-2,2-dimethylpentanamide
Other name (1)：
  • 2-Chloro-5-[[4-[3-[(ethyl)(2,2-dimethylpentanoyl)amino]propyl]phenyl]acetyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one
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