種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)c3cccc(c2nnc1NC(=O)C=C(c12)C(F)(F)F)c3 |
SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)c1cccc(c1)c2n[nH]c3NC(=O)C=C(c23)C(F)(F)F |
SMILES | CACTVS | 3.370 | FC(F)(F)c1cccc(c1)c2n[nH]c3NC(=O)C=C(c23)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C14H7F6N3O/c15-13(16,17)7-3-1-2-6(4-7)11-10-8(14(18,19)20)5-9(24)21-12(10)23-22-11/h1-5H,(H2,21,22,23,24) |
InChIKey | InChI | 1.03 | YEINPIKXEQEWSU-UHFFFAOYSA-N |