Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cc4C(N(C1CCC(NC1=O)=O)Cc4cc2CNC(C(F)(F)c3ccc(cc3)Cl)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | PWBHUSLMHZLGRN-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(C(=O)NCc1ccc2c(CN([C@H]3CCC(=O)NC3=O)C2=O)c1)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | FC(F)(C(=O)NCc1ccc2c(CN([CH]3CCC(=O)NC3=O)C2=O)c1)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)C4CCC(=O)NC4=O)(F)F)Cl |