Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C3C(NC(=O)Nc1cc(C(F)(F)F)ccc1)CCN(Cc2ccccc2)C3 |
InChI | InChI | 1.03 | InChI=1S/C20H22F3N3O/c21-20(22,23)16-7-4-8-18(13-16)25-19(27)24-17-9-11-26(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,24,25,27) |
InChIKey | InChI | 1.03 | MXZRHPHRSQJCML-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(NC(=O)NC2CCN(CC2)Cc3ccccc3)c1 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(NC(=O)NC2CCN(CC2)Cc3ccccc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F |