Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1cccc(F)c1C(=O)c2ccc3nc(c(n3c2)C(=O)c4ccccc4)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc2ccc(cn2c1C(=O)c3ccccc3)C(=O)c4c(F)cccc4F |
SMILES | CACTVS | 3.341 | Nc1nc2ccc(cn2c1C(=O)c3ccccc3)C(=O)c4c(F)cccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N |
InChI | InChI | 1.03 | InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2 |
InChIKey | InChI | 1.03 | WUGJIPFLBOATGL-UHFFFAOYSA-N |