| SpectraBase Spectrum ID |
1bAy13RZd1A |
| Name |
2-(4-{(Z)-[1-(2-Cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(2-phenylethyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.195405329 u |
| Formula |
C25H26N4O4 |
| InChI |
InChI=1S/C25H26N4O4/c1-18-21(25(31)29(28-18)14-6-12-26)15-20-9-10-22(23(16-20)32-2)33-17-24(30)27-13-11-19-7-4-3-5-8-19/h3-5,7-10,15-16H,6,11,13-14,17H2,1-2H3,(H,27,30)/b21-15- |
| InChIKey |
UTAGRKKJQWIQTA-QNGOZBTKSA-N |
| Molecular Weight |
446.507 g/mol |
| SMILES |
N(C(COC1=CC=C(\C=C/2C(N(CCC#N)N=C2C)=O)C=C1OC)=O)CCC=1C=CC=CC1 |
![2-(4-{(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(2-phenylethyl)acetamide](/api/spectrum/1bAy13RZd1A/structure.png?h=300&w=458 "2-(4-{(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(2-phenylethyl)acetamide")
