Chem
J-GLOBAL ID：201107039137215774   Nikkaji number：J2.983.787B

iBET

モリブレシブ
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： C22H22ClN5O2
Molecular formula furigana： C22-H22-CL-N5-O2
Molecular weight： 423.900
InChI： InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChI key： AAAQFGUYHFJNHI-SFHVURJKSA-N
SMILES： CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2n2c(C)nnc12
Systematic name  (7)：
  • (4S)-N-エチル-1-メチル-6-(4-クロロフェニル)-8-メトキシ-4H-2,3,5,10b-テトラアザベンゾ[e]アズレン-4α-アセトアミド
  • 1-メチル-6-(4-クロロフェニル)-8-メトキシ-4α-[(エチルアミノ)カルボニルメチル]-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン
  • (4S)-N-エチル-1-メチル-6-(4-クロロフェニル)-8-メトキシ-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン-4α-アセトアミド
  • N-エチル-1-メチル-6-(4-クロロフェニル)-8-メトキシ-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン-4α-アセトアミド
  • (4S)-N-エチル-6-(4-クロロフェニル)-8-メトキシ-1-メチル-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン-4α-アセトアミド
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Other name (12)：
  • (4S)-N-Ethyl-1-methyl-6-(4-chlorophenyl)-8-methoxy-4H-2,3,5,10b-tetraazabenzo[e]azulene-4α-acetamide
  • iBET
  • 1-Methyl-6-(4-chlorophenyl)-8-methoxy-4α-[(ethylamino)carbonylmethyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
  • I-BET
  • (4S)-N-Ethyl-1-methyl-6-(4-chlorophenyl)-8-methoxy-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4α-acetamide
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