| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)c1cc(C#N)c(C)cc1OCC=1CCC(=O)NN=1 |
| InChI | InChI | 1.06 | InChI=1S/C17H21N3O2/c1-11-7-15(14(17(2,3)4)8-12(11)9-18)22-10-13-5-6-16(21)20-19-13/h7-8H,5-6,10H2,1-4H3,(H,20,21) |
| InChIKey | InChI | 1.06 | QTHRCRHQWVPLAE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(OCC2=NNC(=O)CC2)c(cc1C#N)C(C)(C)C |
| SMILES | CACTVS | 3.385 | Cc1cc(OCC2=NNC(=O)CC2)c(cc1C#N)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1C#N)C(C)(C)C)OCC2=NNC(=O)CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1C#N)C(C)(C)C)OCC2=NNC(=O)CC2 |
