Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cccc(c1)c4c(c3cc(C(=O)NC(c2ccccc2)CO)nc3)nnc4 |
InChI | InChI | 1.03 | InChI=1S/C23H19F3N4O2/c24-23(25,26)17-8-4-7-15(9-17)18-12-28-30-21(18)16-10-19(27-11-16)22(32)29-20(13-31)14-5-2-1-3-6-14/h1-12,20,27,31H,13H2,(H,28,30)(H,29,32)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | ZSJWFEBPAQOKJC-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](NC(=O)c1[nH]cc(c1)c2[nH]ncc2c3cccc(c3)C(F)(F)F)c4ccccc4 |
SMILES | CACTVS | 3.370 | OC[CH](NC(=O)c1[nH]cc(c1)c2[nH]ncc2c3cccc(c3)C(F)(F)F)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)[C@@H](CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F |