| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H21NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | HIEQRZFLXIDNCA-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C(=O)[C@H]2CCCCC2=N1)c3ccc(Oc4ccccc4)cc3 |
| SMILES | CACTVS | 3.385 | CC1=C(C(=O)[CH]2CCCCC2=N1)c3ccc(Oc4ccccc4)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4 |
