| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H30F3N7O3/c27-26(28,29)12-5-13-31-25(39)35-15-11-23(37)36-21(10-4-14-32-33-30)24(38)34(17-22(35)36)16-19-8-3-7-18-6-1-2-9-20(18)19/h1-3,6-9,21-22H,4-5,10-17H2,(H,31,39)/t21-,22+/m0/s1 |
| InChIKey | InChI | 1.06 | JEFJDQXONGAAEJ-FCHUYYIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCCNC(=O)N1CCC(=O)N2[C@@H]1CN(Cc3cccc4ccccc34)C(=O)[C@@H]2CCCN=[N+]=[N-] |
| SMILES | CACTVS | 3.385 | FC(F)(F)CCCNC(=O)N1CCC(=O)N2[CH]1CN(Cc3cccc4ccccc34)C(=O)[CH]2CCCN=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CN3C[C@@H]4N(CCC(=O)N4[C@H](C3=O)CCCN=[N+]=[N-])C(=O)NCCCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CN3CC4N(CCC(=O)N4C(C3=O)CCCN=[N+]=[N-])C(=O)NCCCC(F)(F)F |
