| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)F)C3(OCc2c3ccc(C#N)c2)CCCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | WSEQXVZVJXJVFP-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | CN(C)CCC[C]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F |
