Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO |
InChI | InChI | 1.06 | InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1 |
InChIKey | InChI | 1.06 | VZOVWNGCSCSUGQ-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)[C@H](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2 |
SMILES | CACTVS | 3.385 | ONC(=O)[CH](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H](C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br |