| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2 |
| InChIKey | InChI | 1.06 | PEIZFCTZWSLJCB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCCC4 |
| SMILES | CACTVS | 3.385 | O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccn4c3cc(c4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccn4c3cc(c4)C#N |
