Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(OC)cc(F)c1CC(=O)N5CCN(c3nc(Nc2cc(nn2)C)c4cccn4n3)CC5 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(F)c(CC(=O)N2CCN(CC2)c3nn4cccc4c(Nc5[nH]nc(C)c5)n3)c(F)c1 |
SMILES | CACTVS | 3.370 | COc1cc(F)c(CC(=O)N2CCN(CC2)c3nn4cccc4c(Nc5[nH]nc(C)c5)n3)c(F)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F |
InChI | InChI | 1.03 | InChI=1S/C23H24F2N8O2/c1-14-10-20(29-28-14)26-22-19-4-3-5-33(19)30-23(27-22)32-8-6-31(7-9-32)21(34)13-16-17(24)11-15(35-2)12-18(16)25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,26,27,28,29,30) |
InChIKey | InChI | 1.03 | CFXACTJFCDMPJK-UHFFFAOYSA-N |