GH5
Summary
| Name: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one |
| Formula: | C17 H18 F3 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 353.339 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2 |
| InChIKey | InChI | 1.03 | ROEPMLPFAFHQCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F |
