| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H21N3O3/c1-13(25)18-12-17(20-22-9-4-10-24(18)20)16-11-14(7-8-19(16)27-2)21(26)23-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,26) |
| InChIKey | InChI | 1.03 | ZVDRWJICVNPHJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4 |
