| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(nc(ccc1)CNCCOc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N |
| InChI | InChI | 1.03 | InChI=1S/C24H25N5O2/c25-23-6-1-3-19(28-23)15-27-11-12-30-20-4-2-5-21(14-20)31-16-17-7-8-18-9-10-24(26)29-22(18)13-17/h1-10,13-14,27H,11-12,15-16H2,(H2,25,28)(H2,26,29) |
| InChIKey | InChI | 1.03 | ORKMBBJESKKJPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(CNCCOc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(CNCCOc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N |
