Chem
J-GLOBAL ID：200907012182570433   Nikkaji number：J356.329D

2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[3-[4-[(4-benzhydrylpiperazin)-1-yl]phenyl]propyl] 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-[3-[4-[(4-ベンズヒドリルピペラジン)-1-イル]フェニル]プロピル]
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： C42H44N3[N+]O5[O-]
Molecular formula furigana： C42-H44-N4-O6
Molecular weight： 700.836
InChI： InChI=1S/C42H44N4O6/c1-29-37(41(47)51-3)39(34-17-10-18-36(28-34)46(49)50)38(30(2)43-29)42(48)52-27-11-12-31-19-21-35(22-20-31)44-23-25-45(26-24-44)40(32-13-6-4-7-14-32)33-15-8-5-9-16-33/h4-10,13-22,28,39-40,43H,11-12,23-27H2,1-3H3
InChI key： RARHHQDXPCSMHP-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCc1ccc(cc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)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-[3-[4-[(4-ベンズヒドリルピペラジン)-1-イル]フェニル]プロピル]
  • 3-(3-{4-[4-(ジフェニルメチル)ピペラジン-1-イル]フェニル}プロピル) 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-(3-{4-[4-(diphenylmethyl)piperazin-1-yl]phenyl}propyl) 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-[3-[4-[(4-benzhydrylpiperazin)-1-yl]phenyl]propyl] ester
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