Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)CN3CCC(NC(=O)c1ccc(nc1)c2cccc(OC)c2)CC3 |
InChI | InChI | 1.03 | InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27) |
InChIKey | InChI | 1.03 | KJXMFUFGGQJXRP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F |
SMILES | CACTVS | 3.385 | COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F |