Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(nc1)NC(=O)C(n2cc(nc2)C(F)(F)F)CC3CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | GKMLFBRLRVQVJO-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n3cnc(c3)C(F)(F)F)nc1 |
SMILES | CACTVS | 3.370 | OC(=O)c1ccc(NC(=O)[CH](CC2CCCC2)n3cnc(c3)C(F)(F)F)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)O)NC(=O)C(CC2CCCC2)n3cc(nc3)C(F)(F)F |