| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)c1ccc(cc1)Nc1cccnc1c1nnc(o1)C1(CCNC1=O)C=C |
| InChI | InChI | 1.06 | InChI=1S/C20H16F3N5O2/c1-2-19(9-11-25-17(19)29)18-28-27-16(30-18)15-14(4-3-10-24-15)26-13-7-5-12(6-8-13)20(21,22)23/h2-8,10,26H,1,9,11H2,(H,25,29)/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | ILVSMHUPTDSWHW-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(Nc2cccnc2c3oc(nn3)[C@@]4(CCNC4=O)C=C)cc1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(Nc2cccnc2c3oc(nn3)[C]4(CCNC4=O)C=C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C=C[C@]1(CCNC1=O)c2nnc(o2)c3c(cccn3)Nc4ccc(cc4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C=CC1(CCNC1=O)c2nnc(o2)c3c(cccn3)Nc4ccc(cc4)C(F)(F)F |
