Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c2cc(C(=O)N(C)C)cc(c1nc(nc(c1)CCC)C=[N@H])c2 |
SMILES_CANONICAL | CACTVS | 3.370 | CCCc1cc(nc(C=N)n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C |
SMILES | CACTVS | 3.370 | CCCc1cc(nc(C=N)n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C/c1nc(cc(n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C)CCC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCc1cc(nc(n1)C=N)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C |
InChI | InChI | 1.03 | InChI=1S/C18H19F3N4O/c1-4-5-14-9-15(24-16(10-22)23-14)11-6-12(17(26)25(2)3)8-13(7-11)18(19,20)21/h6-10,22H,4-5H2,1-3H3/b22-10+ |
InChIKey | InChI | 1.03 | FLPAOFVJMBOQGB-LSHDLFTRSA-N |