| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)c1cnc(c2cccc3ccccc23)c(n1)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C21H18N4/c1-25(2)19-14-23-21(20(24-19)16-10-12-22-13-11-16)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3 |
| InChIKey | InChI | 1.06 | CDYRUKWQQPYHTN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cnc(c2cccc3ccccc23)c(n1)c4ccncc4 |
| SMILES | CACTVS | 3.385 | CN(C)c1cnc(c2cccc3ccccc23)c(n1)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(C)c1cnc(c(n1)c2ccncc2)c3cccc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(C)c1cnc(c(n1)c2ccncc2)c3cccc4c3cccc4 |
