Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N3(CC(c2nc(c1ccccc1)no2)C3)C(OC(C(F)(F)F)C(F)(F)F)=O |
InChI | InChI | 1.03 | InChI=1S/C15H11F6N3O3/c16-14(17,18)12(15(19,20)21)26-13(25)24-6-9(7-24)11-22-10(23-27-11)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2 |
InChIKey | InChI | 1.03 | MQSOFDLFKHBDFY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C(OC(=O)N1CC(C1)c2onc(n2)c3ccccc3)C(F)(F)F |
SMILES | CACTVS | 3.385 | FC(F)(F)C(OC(=O)N1CC(C1)c2onc(n2)c3ccccc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F |