Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCC(c1ccccc1)NC(=O)c2ccc4c(c2)c(c(C)n4Cc3c(F)cc(cc3)F)C |
InChI | InChI | 1.03 | InChI=1S/C27H26F2N2O/c1-4-25(19-8-6-5-7-9-19)30-27(32)20-11-13-26-23(14-20)17(2)18(3)31(26)16-21-10-12-22(28)15-24(21)29/h5-15,25H,4,16H2,1-3H3,(H,30,32)/t25-/m1/s1 |
InChIKey | InChI | 1.03 | BLRMZPQNLCVHEV-RUZDIDTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c2c1)c4ccccc4 |
SMILES | CACTVS | 3.385 | CC[CH](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c2c1)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C |