Chem
J-GLOBAL ID：200907028640287502   Nikkaji number：J356.330H

2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[2-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin]-1-yl]phenyl]ethyl] ester

2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-メチル5-[2-[4-[[4-[ビス(4-フルオロフェニル)メチル]ピペラジン]-1-イル]フェニル]エチル]
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： C41H40F2N3[N+]O5[O-]
Molecular formula furigana： C41-H40-F2-N4-O6
Molecular weight： 722.790
InChI： InChI=1S/C41H40F2N4O6/c1-26-36(40(48)52-3)38(31-5-4-6-35(25-31)47(50)51)37(27(2)44-26)41(49)53-24-19-28-7-17-34(18-8-28)45-20-22-46(23-21-45)39(29-9-13-32(42)14-10-29)30-11-15-33(43)16-12-30/h4-18,25,38-39,44H,19-24H2,1-3H3
InChI key： PDZJHRRKWKETAU-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCc1ccc(cc1)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C
Systematic name  (3)：
  • 2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-メチル5-[2-[4-[[4-[ビス(4-フルオロフェニル)メチル]ピペラジン]-1-イル]フェニル]エチル]
  • 3-[2-(4-{4-[ビス(4-フルオロフェニル)メチル]ピペラジン-1-イル}フェニル)エチル] 5-メチル 2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボキシラート
  • 3-[2-(4-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}phenyl)ethyl] 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Other name (1)：
  • 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[2-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin]-1-yl]phenyl]ethyl] ester
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