| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC(c2nnc1cc(O)ccc12)CC3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O/c17-10-12(8-11-4-2-1-3-5-11)16-14-7-6-13(20)9-15(14)18-19-16/h6-7,9,11-12,20H,1-5,8H2,(H,18,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | AOMNIOAFHKBEKZ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc2c([nH]nc2[C@@H](CC3CCCCC3)C#N)c1 |
| SMILES | CACTVS | 3.370 | Oc1ccc2c([nH]nc2[CH](CC3CCCCC3)C#N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)[nH]nc2C(CC3CCCCC3)C#N |
