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2-(4-Methoxybenzyl)-5-{[5-hexanoylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carbonyl]amino}-2H-pyrazole-3-carboxylic acid methyl ester
SpectraBase Compound ID FH7uA48Gy8c
InChI InChI=1S/C31H36N6O6/c1-5-6-7-8-29(38)32-27-17-25(36(34-27)19-21-9-13-23(41-2)14-10-21)30(39)33-28-18-26(31(40)43-4)37(35-28)20-22-11-15-24(42-3)16-12-22/h9-18H,5-8,19-20H2,1-4H3,(H,32,34,38)(H,33,35,39)
InChIKey GZPQSGDZCWDIED-UHFFFAOYSA-N
Mol Weight 588.7 g/mol
Molecular Formula C31H36N6O6
Exact Mass 588.269633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1TzsJzsrZ7
Name 2-(4-Methoxybenzyl)-5-{[5-hexanoylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carbonyl]amino}-2H-pyrazole-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 3-({[3-(hexanoylamino)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-(4-methoxybenzyl)-1H-pyrazole-5-carboxylate 2-[(4-methoxyphenyl)methyl]-5-[[[2-[(4-methoxyphenyl)methyl]-5-(1-oxohexylamino)-3-pyrazolyl]-oxomethyl]amino]-3-pyrazolecarboxylic acid methyl ester Methyl 5-[[5-(hexanoylamino)-2-[(4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate Methyl 5-[[5-(hexanoylamino)-2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]carbonylamino]-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
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Formula C31H36N6O6
InChI InChI=1S/C31H36N6O6/c1-5-6-7-8-29(38)32-27-17-25(36(34-27)19-21-9-13-23(41-2)14-10-21)30(39)33-28-18-26(31(40)43-4)37(35-28)20-22-11-15-24(42-3)16-12-22/h9-18H,5-8,19-20H2,1-4H3,(H,32,34,38)(H,33,35,39)
InChIKey GZPQSGDZCWDIED-UHFFFAOYSA-N
Molecular Weight 588.665 g/mol
SMILES N(c1n[n](c(c1)C(=O)OC)Cc1ccc(cc1)OC)C(c1[n](nc(c1)NC(CCCCC)=O)Cc1ccc(cc1)OC)=O
SPLASH splash10-00di-0900400000-ed49acf7b6c2ca62ba55
Source of Spectrum C5-2003-1824-15
Wiley ID 1615707