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4-piperidinecarboxylic acid, 1-[[5-[(2-methylbenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl]carbonyl]-, ethyl ester
SpectraBase Compound ID 1bOFdrG3bUc
InChI InChI=1S/C26H28N4O4/c1-3-34-26(33)19-13-15-29(16-14-19)25(32)22-17-27-30(20-10-5-4-6-11-20)23(22)28-24(31)21-12-8-7-9-18(21)2/h4-12,17,19H,3,13-16H2,1-2H3,(H,28,31)
InChIKey QJBKZAKMJZWNDZ-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C26H28N4O4
Exact Mass 460.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYQjvv3Xjil
Name 1-[5-(o-toluoylamino)-1-phenyl-pyrazole-4-carbonyl]isonipecotic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4O4
InChI InChI=1S/C26H28N4O4/c1-3-34-26(33)19-13-15-29(16-14-19)25(32)22-17-27-30(20-10-5-4-6-11-20)23(22)28-24(31)21-12-8-7-9-18(21)2/h4-12,17,19H,3,13-16H2,1-2H3,(H,28,31)
InChIKey QJBKZAKMJZWNDZ-UHFFFAOYSA-N
Molecular Weight 460.534 g/mol
SMILES N(c1c(C(N2CCC(C(=O)OCC)CC2)=O)cn[n]1-c1ccccc1)C(c1c(C)cccc1)=O
SPLASH splash10-014i-4901000000-5c915c956160848c42a4
Synonyms 1-[[5-[[(2-methylphenyl)-oxomethyl]amino]-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[5-[(2-methylbenzoyl)amino]-1-phenyl-pyrazole-4-carbonyl]piperidine-4-carboxylate Ethyl 1-[5-[(2-methylphenyl)carbonylamino]-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate
Wiley ID 1458811