SpectraBase Spectrum ID |
1aOzpL2xosh |
Name |
(2E)-3-(1-Benzyl-3-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2,5-dimethoxyphenyl)-2-propenamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
464.184840646 u |
Formula |
C28H24N4O3 |
InChI |
InChI=1S/C28H24N4O3/c1-34-24-13-14-26(35-2)25(16-24)30-28(33)22(17-29)15-23-19-32(18-20-9-5-3-6-10-20)31-27(23)21-11-7-4-8-12-21/h3-16,19H,18H2,1-2H3,(H,30,33)/b22-15+ |
InChIKey |
KQIKDLGMKLIDGQ-PXLXIMEGSA-N |
Molecular Weight |
464.525 g/mol |
SMILES |
N(C(\C(=C\C=1C(=NN(C1)CC1=CC=CC=C1)C=1C=CC=CC1)C#N)=O)C1=CC(OC)=CC=C1OC |