| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2 |
| InChIKey | InChI | 1.06 | QXEAIZYIBWVAEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCOCC4 |
| SMILES | CACTVS | 3.385 | O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)N2CCOCC2)Oc3cccn4c3cc(c4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)N2CCOCC2)Oc3cccn4c3cc(c4)C#N |
