Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3N(C(=NC(c2cccc(NC(=O)c1ncc(OCC(F)(F)F)cc1)c2)(C)C3)N)C |
InChI | InChI | 1.03 | InChI=1S/C20H20F3N5O3/c1-19(9-16(29)28(2)18(24)27-19)12-4-3-5-13(8-12)26-17(30)15-7-6-14(10-25-15)31-11-20(21,22)23/h3-8,10H,9,11H2,1-2H3,(H2,24,27)(H,26,30)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | ZJFIBYCNZHIVEL-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=N[C@@](C)(CC1=O)c2cccc(NC(=O)c3ccc(OCC(F)(F)F)cn3)c2)N |
SMILES | CACTVS | 3.385 | CN1C(=N[C](C)(CC1=O)c2cccc(NC(=O)c3ccc(OCC(F)(F)F)cn3)c2)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F |