| SpectraBase Spectrum ID |
GCTEroW8Im3 |
| Name |
4-[1-(2-Methylbenzyl)-1H-pyrazol-3-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.147726862 u |
| Formula |
C20H19N3O2 |
| InChI |
InChI=1S/C20H19N3O2/c1-12-4-2-3-5-15(12)11-22-9-8-16(21-22)23-19(24)17-13-6-7-14(10-13)18(17)20(23)25/h2-9,13-14,17-18H,10-11H2,1H3 |
| InChIKey |
DVJAUUHQHCMLBZ-UHFFFAOYSA-N |
| Molecular Weight |
333.391 g/mol |
| SMILES |
C1=CC=C(CN2N=C(N3C(C4C5C=CC(C4C3=O)C5)=O)C=C2)C(C)=C1 |
![4-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione](/api/spectrum/GCTEroW8Im3/structure.png?h=300&w=458 "4-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione")
