Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1cccnc1CNC(=O)CN3C(=CN=C(NCC(F)(F)c2ncccc2)C3=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN=C(NCC(F)(F)c2ccccn2)C(=O)N1CC(=O)NCc3ncccc3F |
SMILES | CACTVS | 3.341 | CC1=CN=C(NCC(F)(F)c2ccccn2)C(=O)N1CC(=O)NCc3ncccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F |
InChI | InChI | 1.03 | InChI=1S/C20H19F3N6O2/c1-13-9-27-18(28-12-20(22,23)16-6-2-3-7-25-16)19(31)29(13)11-17(30)26-10-15-14(21)5-4-8-24-15/h2-9H,10-12H2,1H3,(H,26,30)(H,27,28) |
InChIKey | InChI | 1.03 | JXHWVKOKYDAROD-UHFFFAOYSA-N |