Chem
J-GLOBAL ID：201807001046721256   Nikkaji number：J3.718.688K

1-(4-Propylphenyl)-4-[1-(4-methylphenyl)-3-methyl-5-oxo-2-pyrazoline-4-yl]-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester

1-(4-プロピルフェニル)-4-[1-(4-メチルフェニル)-3-メチル-5-オキソ-2-ピラゾリン-4-イル]-4-シアノ-5-イミノ-2-ピロリン-2,3-ジカルボン酸ジメチル
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： C29H29N5O5
Molecular formula furigana： C29-H29-N5-O5
Molecular weight： 527.581
InChI： InChI=1S/C29H29N5O5/c1-6-7-19-10-14-20(15-11-19)33-24(27(37)39-5)23(26(36)38-4)29(16-30,28(33)31)22-18(3)32-34(25(22)35)21-12-8-17(2)9-13-21/h8-15,22,31H,6-7H2,1-5H3
InChI key： YKLQTEIYTKMFCX-UHFFFAOYSA-N
SMILES： CCCc1ccc(cc1)N1C(=N)C(C#N)(C2C(=NN(C2=O)c2ccc(C)cc2)C)C(=C1C(=O)OC)C(=O)OC
Systematic name  (3)：
  • 1-(4-プロピルフェニル)-4-[1-(4-メチルフェニル)-3-メチル-5-オキソ-2-ピラゾリン-4-イル]-4-シアノ-5-イミノ-2-ピロリン-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル 4-シアノ-5-イミノ-4-[3-メチル-1-(4-メチルフェニル)-5-オキソ-4,5-ジヒドロ-1H-ピラゾール-4-イル]-1-(4-プロピルフェニル)-4,5-ジヒドロ-1H-ピロール-2,3-ジカルボキシラート
  • 2,3-dimethyl 4-cyano-5-imino-4-[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-1-(4-propylphenyl)-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-(4-Propylphenyl)-4-[1-(4-methylphenyl)-3-methyl-5-oxo-2-pyrazoline-4-yl]-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester
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