Chem
J-GLOBAL ID：201107070113962840   Nikkaji number：J2.983.001K

M-54

6-(3-アミノプロピル)-4-(3-ヒドロキシフェニル)-9-(1H-ピラゾール-4-イル)ベンゾ[h]イソキノリン-1(2H)-オン
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： C25H22N4O2
Molecular formula furigana： C25-H22-N4-O2
Molecular weight： 410.477
InChI： InChI=1S/C25H22N4O2/c26-8-2-4-17-11-22-23(16-3-1-5-19(30)9-16)14-27-25(31)24(22)21-10-15(6-7-20(17)21)18-12-28-29-13-18/h1,3,5-7,9-14,30H,2,4,8,26H2,(H,27,31)(H,28,29)
InChI key： BUSJQQYKXHYDNN-UHFFFAOYSA-N
SMILES： NCCCc1cc2c(c[nH]c(=O)c2c2cc(ccc12)c1cn[nH]c1)c1cccc(O)c1
Systematic name  (3)：
  • 6-(3-アミノプロピル)-4-(3-ヒドロキシフェニル)-9-(1H-ピラゾール-4-イル)ベンゾ[h]イソキノリン-1(2H)-オン
  • 6-(3-アミノプロピル)-4-(3-ヒドロキシフェニル)-9-(1H-ピラゾール-4-イル)-1H,2H-ベンゾ[h]イソキノリン-1-オン
  • 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)-1H,2H-benzo[h]isoquinolin-1-one
Other name (2)：
  • 6-(3-Aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazole-4-yl)benzo[h]isoquinoline-1(2H)-one
  • M-54
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