| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N |
| InChI | InChI | 1.06 | InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3 |
| InChIKey | InChI | 1.06 | ONGVXJRZAFCJEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(C)CCOc1ccccc1Oc2cccn3cc(cc23)C#N |
| SMILES | CACTVS | 3.385 | CCC(=O)N(C)CCOc1ccccc1Oc2cccn3cc(cc23)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(C)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N |
