Chem
J-GLOBAL ID：200907021377892230   Nikkaji number：J380.490I

4-(2-Chlorophenyl)-9-methyl-2-[3-[(1,2,3,4-tetrahydro-1-oxoisoquinolin)-2-yl]-1-propynyl]-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

4-(2-クロロフェニル)-9-メチル-2-[3-[(1,2,3,4-テトラヒドロ-1-オキソイソキノリン)-2-イル]-1-プロピニル]-6H-チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン
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： C27H20ClN5OS
Molecular formula furigana： C27-H20-CL-N5-O-S
Molecular weight： 498.000
InChI： InChI=1S/C27H20ClN5OS/c1-17-30-31-24-16-29-25(21-10-4-5-11-23(21)28)22-15-19(35-27(22)33(17)24)8-6-13-32-14-12-18-7-2-3-9-20(18)26(32)34/h2-5,7,9-11,15H,12-14,16H2,1H3
InChI key： MLBKAWUUTRCDFS-UHFFFAOYSA-N
SMILES： Cc1nnc2CN=C(c3cc(sc3n12)C#CCN1CCc2ccccc2C1=O)c1ccccc1Cl
Systematic name  (3)：
  • 4-(2-クロロフェニル)-9-メチル-2-[3-[(1,2,3,4-テトラヒドロ-1-オキソイソキノリン)-2-イル]-1-プロピニル]-6H-チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン
  • 2-{3-[7-(2-クロロフェニル)-13-メチル-3-チア-1,8,11,12-テトラアザトリシクロ[8.3.0.02,6]トリデカ-2(6),4,7,10,12-ペンタエン-4-イル]プロパ-2-イン-1-イル}-1,2,3,4-テトラヒドロイソキノリン-1-オン
  • 2-{3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-yn-1-yl}-1,2,3,4-tetrahydroisoquinolin-1-one
Other name (1)：
  • 4-(2-Chlorophenyl)-9-methyl-2-[3-[(1,2,3,4-tetrahydro-1-oxoisoquinolin)-2-yl]-1-propynyl]-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
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