Chem
J-GLOBAL ID：201007048947260719   Nikkaji number：J2.834.273J

1,4-Diphenyl-3-methyl-5-[3-oxo-4-(4-chlorophenyl)-1-butenyl]-6-chloro-1H-pyrazolo[3,4-b]pyridine

1,4-ジフェニル-3-メチル-5-[3-オキソ-4-(4-クロロフェニル)-1-ブテニル]-6-クロロ-1H-ピラゾロ[3,4-b]ピリジン
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： C29H21Cl2N3O
Molecular formula furigana： C29-H21-CL2-N3-O
Molecular weight： 498.410
InChI： InChI=1S/C29H21Cl2N3O/c1-19-26-27(21-8-4-2-5-9-21)25(17-16-24(35)18-20-12-14-22(30)15-13-20)28(31)32-29(26)34(33-19)23-10-6-3-7-11-23/h2-17H,18H2,1H3
InChI key： LKOYJVWSLFLPNE-UHFFFAOYSA-N
SMILES： Cc1nn(c2ccccc2)c2nc(Cl)c(C=CC(=O)Cc3ccc(Cl)cc3)c(c3ccccc3)c12
Systematic name  (3)：
  • 1,4-ジフェニル-3-メチル-5-[3-オキソ-4-(4-クロロフェニル)-1-ブテニル]-6-クロロ-1H-ピラゾロ[3,4-b]ピリジン
  • 4-{6-クロロ-3-メチル-1,4-ジフェニル-1H-ピラゾロ[3,4-b]ピリジン-5-イル}-1-(4-クロロフェニル)ブタ-3-エン-2-オン
  • 4-{6-chloro-3-methyl-1,4-diphenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-1-(4-chlorophenyl)but-3-en-2-one
Other name (1)：
  • 1,4-Diphenyl-3-methyl-5-[3-oxo-4-(4-chlorophenyl)-1-butenyl]-6-chloro-1H-pyrazolo[3,4-b]pyridine
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