種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O |
InChI | InChI | 1.03 | InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1 |
InChIKey | InChI | 1.03 | UGTHZDBHYCLBLY-MWLCHTKSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1F)c2noc(n2)[C@H]3C[C@@H](O)CN3 |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1F)c2noc(n2)[CH]3C[CH](O)CN3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1F)c2nc(on2)C3CC(CN3)O |