種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)c3ccc1c(N(C(=O)/C(C(=O)N1C)=C\NCCOC)c2ccccc2)c3 |
InChI | InChI | 1.03 | InChI=1S/C21H20F3N3O3/c1-26-17-9-8-14(21(22,23)24)12-18(17)27(15-6-4-3-5-7-15)20(29)16(19(26)28)13-25-10-11-30-2/h3-9,12-13,25H,10-11H2,1-2H3/b16-13- |
InChIKey | InChI | 1.03 | ZVVPSWCRCLQQOH-SSZFMOIBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COCCN\C=C/1C(=O)N(C)c2ccc(cc2N(C/1=O)c3ccccc3)C(F)(F)F |
SMILES | CACTVS | 3.370 | COCCNC=C1C(=O)N(C)c2ccc(cc2N(C1=O)c3ccccc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1c2ccc(cc2N(C(=O)C(=CNCCOC)C1=O)c3ccccc3)C(F)(F)F |