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(2E)-3-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide

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(2E)-3-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide
SpectraBase Compound ID sZFcK6PQVF
InChI InChI=1S/C28H23ClN4O3/c1-35-24-12-13-25(26(15-24)36-2)31-28(34)21(16-30)14-22-18-33(17-19-8-10-23(29)11-9-19)32-27(22)20-6-4-3-5-7-20/h3-15,18H,17H2,1-2H3,(H,31,34)/b21-14+
InChIKey YKJHVGVGSWVLSN-KGENOOAVSA-N
Mol Weight 498.97 g/mol
Molecular Formula C28H23ClN4O3
Exact Mass 498.145868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yhYK1IaA5K
Name (2E)-3-[1-(4-Chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.145868314 u
Formula C28H23ClN4O3
InChI InChI=1S/C28H23ClN4O3/c1-35-24-12-13-25(26(15-24)36-2)31-28(34)21(16-30)14-22-18-33(17-19-8-10-23(29)11-9-19)32-27(22)20-6-4-3-5-7-20/h3-15,18H,17H2,1-2H3,(H,31,34)/b21-14+
InChIKey YKJHVGVGSWVLSN-KGENOOAVSA-N
Molecular Weight 498.970 g/mol
SMILES N(C(\C(=C\C=1C(=NN(C1)CC=1C=CC(=CC1)Cl)C1=CC=CC=C1)C#N)=O)C=1C(=CC(=CC1)OC)OC