| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)Oc1ccc(cc1)CCC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C23H22F3N5O3/c24-23(25,26)34-18-5-1-14(2-6-18)3-8-21(32)30-10-16-12-31(13-17(16)11-30)22(33)15-4-7-19-20(9-15)28-29-27-19/h1-2,4-7,9,16-17H,3,8,10-13H2,(H,27,28,29) |
| InChIKey | InChI | 1.06 | YVIMXMIOEDDRKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1ccc(CCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)Oc1ccc(CCC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F |
