| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cccc(C#N)c1OC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O3/c1-22-15-11(4-2-5-12(15)9-17)8-14(20)19-7-3-6-13(10-19)16(18)21/h2,4-5,13H,3,6-8,10H2,1H3,(H2,18,21)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | VDGDDJZRHZPZCA-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c(CC(=O)N2CCC[C@@H](C2)C(N)=O)cccc1C#N |
| SMILES | CACTVS | 3.385 | COc1c(CC(=O)N2CCC[CH](C2)C(N)=O)cccc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1c(cccc1C#N)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1c(cccc1C#N)CC(=O)N2CCCC(C2)C(=O)N |
