Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(Cl)nn1 |
InChI | InChI | 1.03 | InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2 |
InChIKey | InChI | 1.03 | GGZFNPBICDFCKG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)ccc1C4CC4 |
SMILES | CACTVS | 3.385 | Fc1cc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)ccc1C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)F)C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)F)C4CC4 |