Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC3(c1cc(ccc1F)NC(c2ncc(Cl)cc2Cl)=O)C(C(F)(F)F)OCC(N)=N3 |
InChI | InChI | 1.03 | InChI=1S/C18H14Cl2F4N4O2/c1-17(16(18(22,23)24)30-7-13(25)28-17)10-5-9(2-3-12(10)21)27-15(29)14-11(20)4-8(19)6-26-14/h2-6,16H,7H2,1H3,(H2,25,28)(H,27,29)/t16-,17-/m1/s1 |
InChIKey | InChI | 1.03 | VLILPGWCHAEKPY-IAGOWNOFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F |
SMILES | CACTVS | 3.385 | C[C]1(N=C(N)CO[CH]1C(F)(F)F)c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl |