Chem
J-GLOBAL ID：200907084476728222   Nikkaji number：J355.991B

2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[4-[(4-benzhydrylpiperazin)-1-yl]-2-butenyl] 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-[4-[(4-ベンズヒドリルピペラジン)-1-イル]-2-ブテニル]
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： C37H40N3[N+]O5[O-]
Molecular formula furigana： C37-H40-N4-O6
Molecular weight： 636.749
InChI： InChI=1S/C37H40N4O6/c1-26-32(36(42)46-3)34(30-17-12-18-31(25-30)41(44)45)33(27(2)38-26)37(43)47-24-11-10-19-39-20-22-40(23-21-39)35(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-18,25,34-35,38H,19-24H2,1-3H3
InChI key： NFTUOIZJHNAFLV-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC=CCN1CCN(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-[4-[(4-ベンズヒドリルピペラジン)-1-イル]-2-ブテニル]
  • 3-{4-[4-(ジフェニルメチル)ピペラジン-1-イル]ブタ-2-エン-1-イル} 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-{4-[4-(diphenylmethyl)piperazin-1-yl]but-2-en-1-yl} 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-[4-[(4-benzhydrylpiperazin)-1-yl]-2-butenyl] ester
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