| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N1CCN(CC1)CCCC3(C(=NN2c4c(OCC23)ccc(F)c4)C(=O)C)c5ccccc5)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c5ccccc5)CC1 |
| SMILES | CACTVS | 3.341 | CC(=O)N1CCN(CCC[C]2([CH]3COc4ccc(F)cc4N3N=C2C(C)=O)c5ccccc5)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)C1=NN2c3cc(ccc3OCC2C1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F |
| InChI | InChI | 1.03 | InChI=1S/C27H31FN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1 |
| InChIKey | InChI | 1.03 | BWKAHABETZLDBG-AHKZPQOWSA-N |
