| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(n(c1cc(ccn1)C(=O)O)nc2)OCc3ccc(Cl)cc3C |
| InChI | InChI | 1.03 | InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | PSOBPHXKKHPWMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cl)ccc1COc2ccnn2c3cc(ccn3)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(Cl)ccc1COc2ccnn2c3cc(ccn3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl |
