| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC(c1ncccn1)N1CCCC(C1)c1ccc(O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H21N3O/c1-13(17-18-9-3-10-19-17)20-11-2-4-15(12-20)14-5-7-16(21)8-6-14/h3,5-10,13,15,21H,2,4,11-12H2,1H3/t13-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | JDCMEPNJYDYSCB-HIFRSBDPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N1CCC[C@@H](C1)c2ccc(O)cc2)c3ncccn3 |
| SMILES | CACTVS | 3.385 | C[CH](N1CCC[CH](C1)c2ccc(O)cc2)c3ncccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ncccn1)N2CCC[C@@H](C2)c3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ncccn1)N2CCCC(C2)c3ccc(cc3)O |
