| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O2/c18-11-15(9-13-1-2-14-12-20-21-16(14)10-13)17(23)19-3-4-22-5-7-24-8-6-22/h1-2,9-10,12H,3-8H2,(H,19,23)(H,20,21)/b15-9+ |
| InChIKey | InChI | 1.03 | DCPLXQDYVXXNNX-OQLLNIDSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCN1CCOCC1)C(=C/c2ccc3c[nH]nc3c2)/C#N |
| SMILES | CACTVS | 3.385 | O=C(NCCN1CCOCC1)C(=Cc2ccc3c[nH]nc3c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c[nH]nc2cc1/C=C(\C#N)/C(=O)NCCN3CCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c[nH]nc2cc1C=C(C#N)C(=O)NCCN3CCOCC3 |
