| SpectraBase Spectrum ID |
3VQruSiaKGR |
| Name |
Benzonitrile, 2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1(3,7)]dec-1-ylcarbonyl)-1-piperazinyl]- |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25ClFN3O |
| InChI |
InChI=1S/C22H25ClFN3O/c23-18-9-20(19(24)8-17(18)13-25)26-1-3-27(4-2-26)21(28)22-10-14-5-15(11-22)7-16(6-14)12-22/h8-9,14-16H,1-7,10-12H2 |
| InChIKey |
YBFWYDGKIAVJFV-UHFFFAOYSA-N |
| Molecular Weight |
401.913 g/mol |
| SMILES |
C1C2CC3(CC(C2)CC1C3)C(=O)N1CCN(CC1)c1cc(c(cc1F)C#N)Cl |
| SPLASH |
splash10-000i-4960100000-d9e62d6c56bfff51d9dc |
| Source of Spectrum |
IY-1-4579-9 |
| Synonyms |
4-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-chloro-5-fluorobenzonitrile
4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloro-5-fluorobenzonitrile
4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloro-5-fluoro-benzonitrile
4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-chloranyl-5-fluoranyl-benzenecarbonitrile |
| Wiley ID |
1653782 |
![Benzonitrile, 2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1(3,7)]dec-1-ylcarbonyl)-1-piperazinyl]-](/api/spectrum/3VQruSiaKGR/structure.png?h=300&w=458 "Benzonitrile, 2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1(3,7)]dec-1-ylcarbonyl)-1-piperazinyl]-")
