Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37) |
InChIKey | InChI | 1.03 | ISPBCAXOSOLFME-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cn(nc1C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c5ccc(F)cc5C |
SMILES | CACTVS | 3.385 | CCOc1cn(nc1C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c5ccc(F)cc5C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F |