| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)C(=O)NC1CC(c2nnn[NH]2)c2ccccc12 |
| InChI | InChI | 1.03 | InChI=1S/C17H14FN5O/c18-11-5-3-4-10(8-11)17(24)19-15-9-14(16-20-22-23-21-16)12-6-1-2-7-13(12)15/h1-8,14-15H,9H2,(H,19,24)(H,20,21,22,23)/t14-,15+/m0/s1 |
| InChIKey | InChI | 1.03 | AVOXPOBGAAXINB-LSDHHAIUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N[C@@H]2C[C@H](c3[nH]nnn3)c4ccccc24 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N[CH]2C[CH](c3[nH]nnn3)c4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@H](C[C@H]2NC(=O)c3cccc(c3)F)c4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(CC2NC(=O)c3cccc(c3)F)c4[nH]nnn4 |
