Chem
J-GLOBAL ID：200907049587016507   Nikkaji number：J345.772I

2,2-Dimethylpropanoic acid [7-chloro-2,3-dihydro-5-(phenyl)-1H-1,4-benzodiazepin]-3-yl ester

7-クロロ-5-フェニル-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-3-イル 2,2-ジメチルプロパノアート
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： C20H21ClN2O2
Molecular formula furigana： C20-H21-CL-N2-O2
Molecular weight： 356.850
InChI： InChI=1S/C20H21ClN2O2/c1-20(2,3)19(24)25-17-12-22-16-10-9-14(21)11-15(16)18(23-17)13-7-5-4-6-8-13/h4-11,17,22H,12H2,1-3H3
InChI key： QAQXLRGFXFLNNY-UHFFFAOYSA-N
SMILES： CC(C)(C)C(=O)OC1CNc2ccc(Cl)cc2C(=N1)c1ccccc1
Systematic name  (3)：
  • 2,2-ジメチルプロパン酸[7-クロロ-2,3-ジヒドロ-5-(フェニル)-1H-1,4-ベンゾジアゼピン]-3-イル
  • 7-クロロ-5-フェニル-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-3-イル 2,2-ジメチルプロパノアート
  • 7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl 2,2-dimethylpropanoate
Other name (1)：
  • 2,2-Dimethylpropanoic acid [7-chloro-2,3-dihydro-5-(phenyl)-1H-1,4-benzodiazepin]-3-yl ester
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