種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCNCc3cc(OCc2nc(N)cc(c2)C)cnc3 |
InChI | InChI | 1.03 | InChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26) |
InChIKey | InChI | 1.03 | IGLNPZZNPBQOMM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1 |
SMILES | CACTVS | 3.370 | Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F |