| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#Cc1ccc(cc1Cl)C(=O)Nc1ccc2CNCc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H12ClN3O/c17-15-6-10(1-2-11(15)7-18)16(21)20-14-4-3-12-8-19-9-13(12)5-14/h1-6,19H,8-9H2,(H,20,21) |
| InChIKey | InChI | 1.06 | ATDUWAOTGSLZQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(ccc1C#N)C(=O)Nc2ccc3CNCc3c2 |
| SMILES | CACTVS | 3.385 | Clc1cc(ccc1C#N)C(=O)Nc2ccc3CNCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(=O)Nc2ccc3c(c2)CNC3)Cl)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(=O)Nc2ccc3c(c2)CNC3)Cl)C#N |
