| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)Cc1cc(NCC(C)(C)C#N)cc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C19H21ClN4O/c1-13-4-5-22-10-17(13)24-18(25)8-14-6-15(20)9-16(7-14)23-12-19(2,3)11-21/h4-7,9-10,23H,8,12H2,1-3H3,(H,24,25) |
| InChIKey | InChI | 1.06 | UELOTNVORDVOMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cc(Cl)cc(NCC(C)(C)C#N)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cc(Cl)cc(NCC(C)(C)C#N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NCC(C)(C)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NCC(C)(C)C#N |
