| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C24H25N5O/c25-15-18-4-6-21(7-5-18)29-11-9-28(10-12-29)8-2-1-3-19-17-27-23-14-24(30)20(16-26)13-22(19)23/h4-7,13-14,17,27,30H,1-3,8-12H2 |
| InChIKey | InChI | 1.03 | MVSYXDAJHWZBOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc2[nH]cc(CCCCN3CCN(CC3)c4ccc(cc4)C#N)c2cc1C#N |
| SMILES | CACTVS | 3.385 | Oc1cc2[nH]cc(CCCCN3CCN(CC3)c4ccc(cc4)C#N)c2cc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N |
