Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(CC(F)(F)F)C(N2CCN(C(=O)c1ccc(Cl)o1)CC2)=O |
InChI | InChI | 1.03 | InChI=1S/C12H13ClF3N3O3/c13-9-2-1-8(22-9)10(20)18-3-5-19(6-4-18)11(21)17-7-12(14,15)16/h1-2H,3-7H2,(H,17,21) |
InChIKey | InChI | 1.03 | YBLRUYIQMNBZAS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2 |
SMILES | CACTVS | 3.385 | FC(F)(F)CNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl |