| SpectraBase Spectrum ID |
99RWP56WEom |
| Name |
6-Bromo-4-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-(3-methylphenyl)quinoline |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.063325211 u |
| Formula |
C22H18BrN3O |
| InChI |
InChI=1S/C22H18BrN3O/c1-13-5-4-6-16(9-13)21-12-19(18-11-17(23)7-8-20(18)24-21)22(27)26-15(3)10-14(2)25-26/h4-12H,1-3H3 |
| InChIKey |
AYICQXNHCPYQRW-UHFFFAOYSA-N |
| Molecular Weight |
420.310 g/mol |
| SMILES |
CC=1C=C(C=2N=C3C(=C(C(N4N=C(C)C=C4C)=O)C2)C=C(C=C3)Br)C=CC1 |
![6-bromo-4-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-(3-methylphenyl)quinoline](/api/spectrum/99RWP56WEom/structure.png?h=300&w=458 "6-bromo-4-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-(3-methylphenyl)quinoline")
