| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc2CNCc2cc1)c1cccc2nn(C)cc12 |
| InChI | InChI | 1.06 | InChI=1S/C17H16N4O/c1-21-10-15-14(3-2-4-16(15)20-21)17(22)19-13-6-5-11-8-18-9-12(11)7-13/h2-7,10,18H,8-9H2,1H3,(H,19,22) |
| InChIKey | InChI | 1.06 | PKNKNNODUGYURN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc2c(cccc2C(=O)Nc3ccc4CNCc4c3)n1 |
| SMILES | CACTVS | 3.385 | Cn1cc2c(cccc2C(=O)Nc3ccc4CNCc4c3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cc2c(cccc2n1)C(=O)Nc3ccc4c(c3)CNC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cc2c(cccc2n1)C(=O)Nc3ccc4c(c3)CNC4 |
