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(2E)-3-[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)-2-propenamide

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(2E)-3-[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)-2-propenamide
SpectraBase Compound ID 9Ep6zDRmYgR
InChI InChI=1S/C29H25ClN4O2/c1-3-20-6-12-26(13-7-20)32-29(35)23(17-31)16-24-19-34(18-21-4-10-25(30)11-5-21)33-28(24)22-8-14-27(36-2)15-9-22/h4-16,19H,3,18H2,1-2H3,(H,32,35)/b23-16+
InChIKey RFURFCOKKWRGDU-XQNSMLJCSA-N
Mol Weight 497.0 g/mol
Molecular Formula C29H25ClN4O2
Exact Mass 496.166604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRmR5kbPWYf
Name (2E)-3-[1-(4-Chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.166603759 u
Formula C29H25ClN4O2
InChI InChI=1S/C29H25ClN4O2/c1-3-20-6-12-26(13-7-20)32-29(35)23(17-31)16-24-19-34(18-21-4-10-25(30)11-5-21)33-28(24)22-8-14-27(36-2)15-9-22/h4-16,19H,3,18H2,1-2H3,(H,32,35)/b23-16+
InChIKey RFURFCOKKWRGDU-XQNSMLJCSA-N
Molecular Weight 496.998 g/mol
SMILES N(C(\C(=C\C=1C(=NN(C1)CC=1C=CC(=CC1)Cl)C=1C=CC(=CC1)OC)C#N)=O)C=1C=CC(=CC1)CC