GNZ
Summary
| Name: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one |
| Formula: | C16 H18 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 297.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18F3NO/c17-16(18,19)12-3-1-11(2-4-12)7-8-20-13-5-6-14(20)10-15(21)9-13/h1-4,13-14H,5-10H2/t13-,14+ |
| InChIKey | InChI | 1.03 | AOEXBMYHDDUFNM-OKILXGFUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(CCN2[C@H]3CC[C@@H]2CC(=O)C3)cc1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCN2C3CCC2CC(=O)C3)C(F)(F)F |
