| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1cccc(c1)CNCc1ccn(n1)c1cc(Cl)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H16ClN3O/c18-14-4-2-5-16(10-14)21-8-7-15(20-21)12-19-11-13-3-1-6-17(22)9-13/h1-10,19,22H,11-12H2 |
| InChIKey | InChI | 1.06 | XIDYSLQGCOJZCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CNCc2ccn(n2)c3cccc(Cl)c3)c1 |
| SMILES | CACTVS | 3.385 | Oc1cccc(CNCc2ccn(n2)c3cccc(Cl)c3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)O)CNCc2ccn(n2)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)O)CNCc2ccn(n2)c3cccc(c3)Cl |
