| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)NC[C@H](O)COc1cccc2N=C(Cc12)C#N |
| SMILES | CACTVS | 3.341 | CC(C)(C)NC[CH](O)COc1cccc2N=C(Cc12)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)NCC(COc1cccc2c1CC(=N2)C#N)O |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | CQEFAUFOQSCRMZ-LBPRGKRZSA-N |
