Chem
J-GLOBAL ID：200907071490601583   Nikkaji number：J2.713.129H

(1S,4R)-3α-[[5-Chloro-2-[(1-ethyl-2-oxo-6-methoxy-2,3,4,5-tetrahydro-1H-1-benzoazepine-7-yl)amino]-4-pyrimidinyl]amino]bicyclo[2.2.1]hepta-5-ene-2α-carboxamide

(1S,4R)-3α-[[5-クロロ-2-[(1-エチル-2-オキソ-6-メトキシ-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-7-イル)アミノ]-4-ピリミジニル]アミノ]ビシクロ[2.2.1]ヘプタ-5-エン-2α-カルボアミド
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： C25H29ClN6O3
Molecular formula furigana： C25-H29-CL-N6-O3
Molecular weight： 497.000
InChI： InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1
InChI key： GLGNXYJARSMNGJ-VKTIVEEGSA-N
SMILES： CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(=O)N)n3)c(OC)c2CCCC1=O
Systematic name  (3)：
  • (1S,4R)-3α-[[5-クロロ-2-[(1-エチル-2-オキソ-6-メトキシ-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-7-イル)アミノ]-4-ピリミジニル]アミノ]ビシクロ[2.2.1]ヘプタ-5-エン-2α-カルボアミド
  • (1S,2S,3R,4R)-3-({5-クロロ-2-[(1-エチル-6-メトキシ-2-オキソ-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-7-イル)アミノ]ピリミジン-4-イル}アミノ)ビシクロ[2.2.1]ヘプタ-5-エン-2-カルボキサミド
  • (1S,2S,3R,4R)-3-({5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)amino]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide
Other name (1)：
  • (1S,4R)-3α-[[5-Chloro-2-[(1-ethyl-2-oxo-6-methoxy-2,3,4,5-tetrahydro-1H-1-benzoazepine-7-yl)amino]-4-pyrimidinyl]amino]bicyclo[2.2.1]hepta-5-ene-2α-carboxamide
Thsaurus map：
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