Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3(C(C(=O)Nc1ccccc1)C2CCCCC2)c5cc(c(F)cc5nc3c4ccc(cc4)Cl)F |
InChI | InChI | 1.03 | InChI=1S/C27H24ClF2N3O/c28-19-13-11-18(12-14-19)26-32-23-15-21(29)22(30)16-24(23)33(26)25(17-7-3-1-4-8-17)27(34)31-20-9-5-2-6-10-20/h2,5-6,9-17,25H,1,3-4,7-8H2,(H,31,34)/t25-/m0/s1 |
InChIKey | InChI | 1.03 | ARWUUCFDBAFWCD-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2nc(n([C@@H](C3CCCCC3)C(=O)Nc4ccccc4)c2cc1F)c5ccc(Cl)cc5 |
SMILES | CACTVS | 3.385 | Fc1cc2nc(n([CH](C3CCCCC3)C(=O)Nc4ccccc4)c2cc1F)c5ccc(Cl)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F |