Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H15F3N4O3/c1-28-14-7-5-11(6-8-14)10-25-15(17(27)23-24-25)16(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-9,27H,10H2,1H3,(H,22,26) |
InChIKey | InChI | 1.03 | IMCLZLUHJZCWCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cn2nnc(O)c2C(=O)Nc3cccc(c3)C(F)(F)F)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Cn2nnc(O)c2C(=O)Nc3cccc(c3)C(F)(F)F)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F |