Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1 |
InChIKey | InChI | 1.06 | UQTPDWDAYHAZNT-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1cc(cc(Nc2cnccn2)n1)c3cnn(C)c3)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1cc(cc(Nc2cnccn2)n1)c3cnn(C)c3)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](c1ccc(cc1)F)Nc2cc(cc(n2)Nc3cnccn3)c4cnn(c4)C |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1ccc(cc1)F)Nc2cc(cc(n2)Nc3cnccn3)c4cnn(c4)C |