| SpectraBase Spectrum ID |
7qPyF4Sy0Sw |
| Name |
3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.134969277 u |
| Formula |
C21H22ClN3O3 |
| InChI |
InChI=1S/C21H22ClN3O3/c1-11-19(12(2)25(24-11)10-15-5-3-4-6-16(15)22)23-20(26)17-13-7-8-14(9-13)18(17)21(27)28/h3-8,13-14,17-18H,9-10H2,1-2H3,(H,23,26)(H,27,28) |
| InChIKey |
MEMQITQFYKCDMQ-UHFFFAOYSA-N |
| Molecular Weight |
399.878 g/mol |
| SMILES |
N(C(C1C2C=CC(C1C(=O)O)C2)=O)C1=C(N(CC=2C(Cl)=CC=CC2)N=C1C)C |
![3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid](/api/spectrum/7qPyF4Sy0Sw/structure.png?h=300&w=458 "3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid")
