| SpectraBase Spectrum ID |
BAsiW9MbSdN |
| Name |
1-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3-fluorobenzoyl)piperazine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.170667748 u |
| Formula |
C22H22FN5O3 |
| InChI |
InChI=1S/C22H22FN5O3/c1-15-12-16(2)27(24-15)21-14-19(6-7-20(21)28(30)31)25-8-10-26(11-9-25)22(29)17-4-3-5-18(23)13-17/h3-7,12-14H,8-11H2,1-2H3 |
| InChIKey |
YDXLMCQTHQGLGZ-UHFFFAOYSA-N |
| Molecular Weight |
423.448 g/mol |
| SMILES |
C=1C=CC(C(N2CCN(C=3C=C(N4N=C(C)C=C4C)C(N(=O)=O)=CC3)CC2)=O)=CC1F |
![1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3-fluorobenzoyl)piperazine](/api/spectrum/BAsiW9MbSdN/structure.png?h=300&w=458 "1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3-fluorobenzoyl)piperazine")
