種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N2(C(NCC(F)(F)F)=O)CCN(C(c1ccc(C)o1)=O)CC2 |
InChI | InChI | 1.03 | InChI=1S/C13H16F3N3O3/c1-9-2-3-10(22-9)11(20)18-4-6-19(7-5-18)12(21)17-8-13(14,15)16/h2-3H,4-8H2,1H3,(H,17,21) |
InChIKey | InChI | 1.03 | RWJVYBNMCXCYMJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F |
SMILES | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F |