種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N2CCC(NC(=O)Nc1ccc(cc1)C(F)(F)F)CC2)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25) |
InChIKey | InChI | 1.03 | KKMHGEIPUCNGMV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F |
SMILES | CACTVS | 3.385 | CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F |