Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1 |
InChIKey | InChI | 1.06 | MOWXJLUYGFNTAL-DEOSSOPVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(nn1)[C@@H](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5 |
SMILES | CACTVS | 3.385 | COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O |
SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(nn1)C(c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O |