種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)CC2)CC |
InChI | InChI | 1.03 | InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24) |
InChIKey | InChI | 1.03 | AAJMQTLFRTZCJK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(OC(F)(F)F)cc2 |
SMILES | CACTVS | 3.385 | CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(OC(F)(F)F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F |