| SpectraBase Spectrum ID |
ECN1zdJDIe9 |
| Name |
N(1)-{4-[5'-(p-Fluorophenyl)-1'-acetyl-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.125547408 u |
| Formula |
C25H21ClFN3O3 |
| InChI |
InChI=1S/C25H21ClFN3O3/c1-15(31)30-23(17-3-8-19(27)9-4-17)14-22(29-30)16-5-10-20(11-6-16)28-25(32)21-13-18(26)7-12-24(21)33-2/h3-13,23H,14H2,1-2H3,(H,28,32) |
| InChIKey |
PKQXEPVKEPLXKL-UHFFFAOYSA-N |
| Molecular Weight |
465.912 g/mol |
| SMILES |
C1(=NN(C(C1)C1=CC=C(C=C1)F)C(=O)C)C1=CC=C(NC(C=2C(=CC=C(C2)Cl)OC)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919009 |
![N(1)-{4-[5'-(p-Fluorophenyl)-1'-acetyl-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide](/api/spectrum/ECN1zdJDIe9/structure.png?h=300&w=458 "N(1)-{4-[5'-(p-Fluorophenyl)-1'-acetyl-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide")
