Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34) |
InChIKey | InChI | 1.03 | PRFOAGMHUSKCKE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)c4ccc(cc4)C(O)=O |
SMILES | CACTVS | 3.385 | CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)c4ccc(cc4)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.5 | CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F |