Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cnc(nc1C(=O)c2c(F)cc(cc2F)OC)Nc3ccc(cc3)C#N |
InChI | InChI | 1.03 | InChI=1S/C19H12F2N4O2/c1-27-13-8-14(20)17(15(21)9-13)18(26)16-6-7-23-19(25-16)24-12-4-2-11(10-22)3-5-12/h2-9H,1H3,(H,23,24,25) |
InChIKey | InChI | 1.03 | FZZMKUKEMAVUGK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(F)c(c(F)c1)C(=O)c2ccnc(Nc3ccc(cc3)C#N)n2 |
SMILES | CACTVS | 3.385 | COc1cc(F)c(c(F)c1)C(=O)c2ccnc(Nc3ccc(cc3)C#N)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F |
SMILES | OpenEye OEToolkits | 2.0.4 | COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F |