| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29) |
| InChIKey | InChI | 1.03 | GFEAXKZXFORDDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCNCC4 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4 |
