| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21ccccc1nc(CCC(=O)O)c(n2)OCc3ccccn3 |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O3/c21-16(22)9-8-15-17(23-11-12-5-3-4-10-18-12)20-14-7-2-1-6-13(14)19-15/h1-7,10H,8-9,11H2,(H,21,22) |
| InChIKey | InChI | 1.03 | TXJSUZJFIYIMRT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1nc2ccccc2nc1OCc3ccccn3 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1nc2ccccc2nc1OCc3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O |
