種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(c1c(ccc(c1)c2cnnc2c3ccc(F)cc3)F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C16H9F5N2/c17-11-4-1-9(2-5-11)15-12(8-22-23-15)10-3-6-14(18)13(7-10)16(19,20)21/h1-8H,(H,22,23) |
InChIKey | InChI | 1.03 | MQERCRUBCCKCNG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2[nH]ncc2c3ccc(F)c(c3)C(F)(F)F |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2[nH]ncc2c3ccc(F)c(c3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F |