SpectraBase Spectrum ID |
8whMGnrXkeb |
Name |
Benzamide, 4-[(2-bromophenoxy)methyl]-N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
461.073889894 u |
Formula |
C24H20BrN3O2 |
InChI |
InChI=1S/C24H20BrN3O2/c1-17-14-15-28(27-17)21-12-10-20(11-13-21)26-24(29)19-8-6-18(7-9-19)16-30-23-5-3-2-4-22(23)25/h2-15H,16H2,1H3,(H,26,29) |
InChIKey |
YMLAPMGZZLHIQA-UHFFFAOYSA-N |
Molecular Weight |
462.347 g/mol |
SMILES |
N(C(=O)C1=CC=C(COC2=C(Br)C=CC=C2)C=C1)C=1C=CC(N2N=C(C)C=C2)=CC1 |