| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)c2ccc(OC1CCNCC1)c3c2ncc3C#N |
| InChI | InChI | 1.03 | InChI=1S/C15H16N4O2/c16-7-9-8-19-14-11(15(17)20)1-2-12(13(9)14)21-10-3-5-18-6-4-10/h1-2,8,10,18-19H,3-6H2,(H2,17,20) |
| InChIKey | InChI | 1.03 | LJQBAOLMNHGSQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(OC2CCNCC2)c3c1[nH]cc3C#N |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(OC2CCNCC2)c3c1[nH]cc3C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3 |
