| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CCO |
| InChI | InChI | 1.03 | InChI=1S/C18H19ClN2O/c19-13-1-2-14-15(9-13)21-16-8-11-5-10(3-4-22)6-12(7-11)17(16)18(14)20/h1-2,5,9,11-12,22H,3-4,6-8H2,(H2,20,21)/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | GAOPELPOAHCRBF-NWDGAFQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c2ccc(Cl)cc2nc3C[C@@H]4C[C@@H](CC(=C4)CCO)c13 |
| SMILES | CACTVS | 3.385 | Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](CC(=C4)CCO)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCO |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)C=C(C4)CCO |
