| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c31nc(N)ccc1ccc(COc2cc(CNC)cc(c2)CC)c3 |
| InChI | InChI | 1.03 | InChI=1S/C20H23N3O/c1-3-14-8-16(12-22-2)10-18(9-14)24-13-15-4-5-17-6-7-20(21)23-19(17)11-15/h4-11,22H,3,12-13H2,1-2H3,(H2,21,23) |
| InChIKey | InChI | 1.03 | OCTNSHZDWVJCQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1 |
| SMILES | CACTVS | 3.385 | CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC |
