| SpectraBase Spectrum ID |
IQERaKXJyvs |
| Name |
7,7-Dimethyl-4-(4-bromophenyl)-3-phenyl-1,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-B]quinolin-5-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.094625339 u |
| Formula |
C24H22BrN3O |
| InChI |
InChI=1S/C24H22BrN3O/c1-24(2)12-17-20(18(29)13-24)19(14-8-10-16(25)11-9-14)21-22(27-28-23(21)26-17)15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3,(H2,26,27,28) |
| InChIKey |
LMXNIIPRPXQZDN-UHFFFAOYSA-N |
| Molecular Weight |
448.364 g/mol |
| SMILES |
C12=C(NC3=C(C2C=2C=CC(=CC2)Br)C(CC(C)(C)C3)=O)NN=C1C1=CC=CC=C1 |
![7,7-Dimethyl-4-(4-bromophenyl)-3-phenyl-1,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-5-one](/api/spectrum/IQERaKXJyvs/structure.png?h=300&w=458 "7,7-Dimethyl-4-(4-bromophenyl)-3-phenyl-1,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-5-one")
