Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(N3CCN(C(c1ccc(F)cc1)c2ccc(F)cc2)CC3)n4ncnc4 |
SMILES_CANONICAL | CACTVS | 3.352 | Fc1ccc(cc1)C(N2CCN(CC2)C(=O)n3cncn3)c4ccc(F)cc4 |
SMILES | CACTVS | 3.352 | Fc1ccc(cc1)C(N2CCN(CC2)C(=O)n3cncn3)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F |
InChI | InChI | 1.03 | InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2 |
InChIKey | InChI | 1.03 | UIOVHJYJUUSVIG-UHFFFAOYSA-N |