Chem
J-GLOBAL ID:200907049116624477   Nikkaji number:J1.755.012H

1-(4-Chlorophenyl)-5,11-dimethyl-6-oxo-5,6,11,11a-tetrahydro-1H-1,2,4-triazolo[3,4-b][1,3,4]benzotriazepine-3-carboxylic acid ethyl ester

1-(4-クロロフェニル)-5,11-ジメチル-6-オキソ-5,6,11,11a-テトラヒドロ-1H-1,2,4-トリアゾロ[3,4-b][1,3,4]ベンゾトリアゼピン-3-カルボン酸エチル
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: C20H20ClN5O3
Molecular formula furigana: C20-H20-CL-N5-O3
Molecular weight: 413.860
InChI: InChI=1S/C20H20ClN5O3/c1-4-29-19(28)17-22-25(14-11-9-13(21)10-12-14)20-23(2)16-8-6-5-7-15(16)18(27)24(3)26(17)20/h5-12,20H,4H2,1-3H3
InChI key: LAKKYHJJOWIIKA-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=NN(C2N1N(C)C(=O)c1ccccc1N2C)c1ccc(Cl)cc1
Systematic name  (3):
  • 1-(4-クロロフェニル)-5,11-ジメチル-6-オキソ-5,6,11,11a-テトラヒドロ-1H-1,2,4-トリアゾロ[3,4-b][1,3,4]ベンゾトリアゼピン-3-カルボン酸エチル
  • エチル 4-(4-クロロフェニル)-2,8-ジメチル-9-オキソ-2,4,5,7,8-ペンタアザトリシクロ[8.4.0.03,7]テトラデカ-1(14),5,10,12-テトラエン-6-カルボキシラート
  • ethyl 4-(4-chlorophenyl)-2,8-dimethyl-9-oxo-2,4,5,7,8-pentaazatricyclo[8.4.0.03,7]tetradeca-1(14),5,10,12-tetraene-6-carboxylate
Other name (1):
  • 1-(4-Chlorophenyl)-5,11-dimethyl-6-oxo-5,6,11,11a-tetrahydro-1H-1,2,4-triazolo[3,4-b][1,3,4]benzotriazepine-3-carboxylic acid ethyl ester
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