Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1nccc1c1cc(C(=O)NC(c2cccc(c2)C(F)(F)F)C(=O)N(C)C)c(cc1)c1ccc(cc1)C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C29H24F6N4O2/c1-38(2)27(41)25(19-5-4-6-21(15-19)29(33,34)35)37-26(40)23-16-18(24-13-14-36-39(24)3)9-12-22(23)17-7-10-20(11-8-17)28(30,31)32/h4-16,25H,1-3H3,(H,37,40)/t25-/m0/s1 |
InChIKey | InChI | 1.06 | KNKLXKBJJSPVFJ-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)[C@@H](NC(=O)c1cc(ccc1c2ccc(cc2)C(F)(F)F)c3ccnn3C)c4cccc(c4)C(F)(F)F |
SMILES | CACTVS | 3.385 | CN(C)C(=O)[CH](NC(=O)c1cc(ccc1c2ccc(cc2)C(F)(F)F)c3ccnn3C)c4cccc(c4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(ccn1)c2ccc(c(c2)C(=O)N[C@@H](c3cccc(c3)C(F)(F)F)C(=O)N(C)C)c4ccc(cc4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(ccn1)c2ccc(c(c2)C(=O)NC(c3cccc(c3)C(F)(F)F)C(=O)N(C)C)c4ccc(cc4)C(F)(F)F |