Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccc(Oc1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)CNc1nc(Oc2ccc(F)cc2F)nc3[nH]nc(c4ccccc4Cl)c13 |
SMILES | CACTVS | 3.341 | C[CH](O)CNc1nc(Oc2ccc(F)cc2F)nc3[nH]nc(c4ccccc4Cl)c13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O |
InChI | InChI | 1.03 | InChI=1S/C20H16ClF2N5O2/c1-10(29)9-24-18-16-17(12-4-2-3-5-13(12)21)27-28-19(16)26-20(25-18)30-15-7-6-11(22)8-14(15)23/h2-8,10,29H,9H2,1H3,(H2,24,25,26,27,28)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | ULOWCFSJXCABBL-JTQLQIEISA-N |