Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CNC(=O)C4CCN(C(c3c2ccccc2ccc3)C)CC4 |
InChI | InChI | 1.03 | InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | XJTWGMHOQKGBDO-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N1CC[C@H](CC1)C(=O)NCc2cccc(F)c2)c3cccc4ccccc34 |
SMILES | CACTVS | 3.385 | C[CH](N1CC[CH](CC1)C(=O)NCc2cccc(F)c2)c3cccc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F |