| SpectraBase Spectrum ID |
50KtMYko5Q5 |
| Name |
3-Pyridinecarboxamide, N-[[4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl]methyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.093438818 u |
| Formula |
C17H15ClN4O |
| InChI |
InChI=1S/C17H15ClN4O/c18-16-10-21-22(12-16)11-14-5-3-13(4-6-14)8-20-17(23)15-2-1-7-19-9-15/h1-7,9-10,12H,8,11H2,(H,20,23) |
| InChIKey |
QPKLXGGMUGUSPC-UHFFFAOYSA-N |
| Molecular Weight |
326.787 g/mol |
| SMILES |
C=1C=NC=C(C(NCC2=CC=C(CN3N=CC(=C3)Cl)C=C2)=O)C1 |