Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)CCCOc4cc(Cl)cc(Cl)c4c1nc(nc3c1CN(C(=O)NC2CCC2)C3)N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc2CN(Cc2c(n1)c3c(Cl)cc(Cl)cc3OCCCC(F)(F)F)C(=O)NC4CCC4 |
SMILES | CACTVS | 3.370 | Nc1nc2CN(Cc2c(n1)c3c(Cl)cc(Cl)cc3OCCCC(F)(F)F)C(=O)NC4CCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H22Cl2F3N5O2/c22-11-7-14(23)17(16(8-11)33-6-2-5-21(24,25)26)18-13-9-31(10-15(13)29-19(27)30-18)20(32)28-12-3-1-4-12/h7-8,12H,1-6,9-10H2,(H,28,32)(H2,27,29,30) |
InChIKey | InChI | 1.03 | OQTGWGQVJCWDDT-UHFFFAOYSA-N |