Chem
J-GLOBAL ID：201807020357145229   Nikkaji number：J3.679.535B

PA-49

8-メチル-3-[[ベンジル(4-フルオロベンジル)アミノ][1-(1,1-ジメチルプロピル)-1H-テトラゾール-5-イル]メチル]キノリン-2(1H)-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： C31H33FN6O
Molecular formula furigana： C31-H33-F-N6-O
Molecular weight： 524.644
InChI： InChI=1S/C31H33FN6O/c1-5-31(3,4)38-29(34-35-36-38)28(26-18-24-13-9-10-21(2)27(24)33-30(26)39)37(19-22-11-7-6-8-12-22)20-23-14-16-25(32)17-15-23/h6-18,28H,5,19-20H2,1-4H3,(H,33,39)
InChI key： ZHEUYYXKEMCRTE-UHFFFAOYSA-N
SMILES： CCC(C)(C)n1nnnc1C(N(Cc1ccccc1)Cc1ccc(F)cc1)c1cc2cccc(C)c2[nH]c1=O
Systematic name  (3)：
  • 8-メチル-3-[[ベンジル(4-フルオロベンジル)アミノ][1-(1,1-ジメチルプロピル)-1H-テトラゾール-5-イル]メチル]キノリン-2(1H)-オン
  • 3-({ベンジル[(4-フルオロフェニル)メチル]アミノ}[1-(2-メチルブタン-2-イル)-1H-1,2,3,4-テトラゾール-5-イル]メチル)-8-メチル-1,2-ジヒドロキノリン-2-オン
  • 3-({benzyl[(4-fluorophenyl)methyl]amino}[1-(2-methylbutan-2-yl)-1H-1,2,3,4-tetrazol-5-yl]methyl)-8-methyl-1,2-dihydroquinolin-2-one
Other name (2)：
  • 8-Methyl-3-[[benzyl(4-fluorobenzyl)amino][1-(1,1-dimethylpropyl)-1H-tetrazole-5-yl]methyl]quinoline-2(1H)-one
  • PA-49
Thsaurus map：
Thesaurus Map

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