| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc2cc(Oc1c(nn(c1CC)CCO)CC)cc(C#N)c2 |
| SMILES_CANONICAL | CACTVS | 3.352 | CCc1nn(CCO)c(CC)c1Oc2cc(cc(c2)C#N)C#N |
| SMILES | CACTVS | 3.352 | CCc1nn(CCO)c(CC)c1Oc2cc(cc(c2)C#N)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N |
| InChI | InChI | 1.03 | InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3 |
| InChIKey | InChI | 1.03 | MCPUZZJBAHRIPO-UHFFFAOYSA-N |
