| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H27F3N6O3/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30/h6-10,13-14,23H,11-12H2,1-5H3/p+1/t23-/m1/s1 |
| InChIKey | InChI | 1.06 | IHTRPSMRGYWUIM-HSZRJFAPSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=C(C)N(c2cccc(c2)C(F)(F)F)C3=NNC(=O)N3[C@@H]1c4ccc(cc4CC[N+](C)(C)C)C#N |
| SMILES | CACTVS | 3.385 | COC(=O)C1=C(C)N(c2cccc(c2)C(F)(F)F)C3=NNC(=O)N3[CH]1c4ccc(cc4CC[N+](C)(C)C)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C([C@H](N2C(=O)NN=C2N1c3cccc(c3)C(F)(F)F)c4ccc(cc4CC[N+](C)(C)C)C#N)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(N2C(=O)NN=C2N1c3cccc(c3)C(F)(F)F)c4ccc(cc4CC[N+](C)(C)C)C#N)C(=O)OC |
