| SpectraBase Spectrum ID |
F9gReI7g8RO |
| Name |
1,3-Cyclohexanedione, 2-[2-[4-(4-fluorobenzoyl)-1-piperazinyl]ethylaminomethylene]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.211469934 u |
| Formula |
C22H28FN3O3 |
| InChI |
InChI=1S/C22H28FN3O3/c1-22(2)13-19(27)18(20(28)14-22)15-24-6-7-25-8-10-26(11-9-25)21(29)16-4-3-5-17(23)12-16/h3-5,12,15,24H,6-11,13-14H2,1-2H3 |
| InChIKey |
GUTIPNAYGCZGFL-UHFFFAOYSA-N |
| Molecular Weight |
401.482 g/mol |
| SMILES |
C1(CC(CC(C1=CNCCN1CCN(C(C2=CC=CC(=C2)F)=O)CC1)=O)(C)C)=O |
![1,3-Cyclohexanedione, 2-[2-[4-(4-fluorobenzoyl)-1-piperazinyl]ethylaminomethylene]-](/api/spectrum/F9gReI7g8RO/structure.png?h=300&w=458 "1,3-Cyclohexanedione, 2-[2-[4-(4-fluorobenzoyl)-1-piperazinyl]ethylaminomethylene]-")
