Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O |
InChI | InChI | 1.03 | InChI=1S/C12H14F3N3O3/c13-12(14,15)8-16-11(20)18-5-3-17(4-6-18)10(19)9-2-1-7-21-9/h1-2,7H,3-6,8H2,(H,16,20) |
InChIKey | InChI | 1.03 | IWBAEWXJNBZVON-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CNC(=O)N1CCN(CC1)C(=O)c2occc2 |
SMILES | CACTVS | 3.385 | FC(F)(F)CNC(=O)N1CCN(CC1)C(=O)c2occc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F |