| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H23N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h10,14-15,17,21H,1-9H2/t14-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | ZMMDIKHKFCGQDK-HUUCEWRRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCN[C@@H]1CC(=O)CN2C=NC3=C(CCCC3)C2=O |
| SMILES | CACTVS | 3.385 | O[CH]1CCCN[CH]1CC(=O)CN2C=NC3=C(CCCC3)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O |
