| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COCC(=O)Nc1c(OCc2ncccn2)cc(C)cc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C15H16ClN3O3/c1-10-6-11(16)15(19-14(20)9-21-2)12(7-10)22-8-13-17-4-3-5-18-13/h3-7H,8-9H2,1-2H3,(H,19,20) |
| InChIKey | InChI | 1.06 | ATXBWRYERKVHTO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(=O)Nc1c(Cl)cc(C)cc1OCc2ncccn2 |
| SMILES | CACTVS | 3.385 | COCC(=O)Nc1c(Cl)cc(C)cc1OCc2ncccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(c(c1)Cl)NC(=O)COC)OCc2ncccn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(c(c1)Cl)NC(=O)COC)OCc2ncccn2 |
