Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc5ccc(c2c4c(ncnc4oc2c3ccc(OC)cc3)N)cc5 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)c2oc3ncnc(N)c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4 |
SMILES | CACTVS | 3.341 | COc1ccc(cc1)c2oc3ncnc(N)c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37) |
InChIKey | InChI | 1.03 | FGZIONRFHVNRJB-UHFFFAOYSA-N |