| SpectraBase Spectrum ID |
98sUcEHKcz0 |
| Name |
4-(3-Hydroxy-3-trifluoromethyl-3,3A,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[C]pyrazol-2-yl)-7-chloroquinoline |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.179474689 u |
| Formula |
C23H27ClF3N3O |
| InChI |
InChI=1S/C23H27ClF3N3O/c24-16-11-12-17-20(15-16)28-14-13-21(17)30-22(31,23(25,26)27)18-9-7-5-3-1-2-4-6-8-10-19(18)29-30/h11-15,18,31H,1-10H2 |
| InChIKey |
IPZWZSGLISPBDX-UHFFFAOYSA-N |
| Molecular Weight |
453.937 g/mol |
| SMILES |
C1(N(N=C2C1CCCCCCCCCC2)C=1C=2C(=CC(=CC2)Cl)N=CC1)(C(F)(F)F)O |
![4-(3-Hydroxy-3-trifluoromethyl-3,3A,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[C]pyrazol-2-yl)-7-chloroquinoline](/api/spectrum/98sUcEHKcz0/structure.png?h=300&w=458 "4-(3-Hydroxy-3-trifluoromethyl-3,3A,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[C]pyrazol-2-yl)-7-chloroquinoline")
