| SpectraBase Spectrum ID |
GTjnDR7LtLV |
| Name |
N(1)-{4-[5'-(p-Fluorophenyl)-N-(morpholinomethyl)-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 |
522.183396638 u |
| Formula |
C28H28ClFN4O3 |
| InChI |
InChI=1S/C28H28ClFN4O3/c1-36-27-11-6-21(29)16-24(27)28(35)31-23-9-4-19(5-10-23)25-17-26(20-2-7-22(30)8-3-20)34(32-25)18-33-12-14-37-15-13-33/h2-11,16,26H,12-15,17-18H2,1H3,(H,31,35) |
| InChIKey |
GRDSRLXRQYYMKP-UHFFFAOYSA-N |
| Molecular Weight |
523.008 g/mol |
| SMILES |
C1(=NN(C(C1)C=1C=CC(=CC1)F)CN1CCOCC1)C=1C=CC(NC(C=2C(=CC=C(C2)Cl)OC)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913811 |
![N(1)-{4-[5'-(p-Fluorophenyl)-N-(morpholinomethyl)-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide](/api/spectrum/GTjnDR7LtLV/structure.png?h=300&w=458 "N(1)-{4-[5'-(p-Fluorophenyl)-N-(morpholinomethyl)-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide")
