W5O
Summary
| Name: | SSR504734 |
| Synonyms: | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide |
| Formula: | C20 H20 Cl F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 396.834 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m1/s1 |
| InChIKey | InChI | 1.06 | MEZRZVWPLXVLSO-SJLPKXTDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(C(=O)N[C@@H]([C@H]2CCCCN2)c3ccccc3)c1Cl |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(C(=O)N[CH]([CH]2CCCCN2)c3ccccc3)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]([C@H]2CCCCN2)NC(=O)c3cccc(c3Cl)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C2CCCCN2)NC(=O)c3cccc(c3Cl)C(F)(F)F |
