| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccc2CNCc2c1)c1cccc2[NH]cnc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H14N4O/c21-16(13-2-1-3-14-15(13)19-9-18-14)20-12-5-4-10-7-17-8-11(10)6-12/h1-6,9,17H,7-8H2,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.06 | CACCFMCUTIQAGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccc2CNCc2c1)c3cccc4[nH]cnc34 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccc2CNCc2c1)c3cccc4[nH]cnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2c(c1)[nH]cn2)C(=O)Nc3ccc4c(c3)CNC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2c(c1)[nH]cn2)C(=O)Nc3ccc4c(c3)CNC4 |
