Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCNCc3ccc(c2nc(N)cc(c2)C)cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H22FN3/c1-15-11-20(25-21(23)12-15)18-7-5-17(6-8-18)14-24-10-9-16-3-2-4-19(22)13-16/h2-8,11-13,24H,9-10,14H2,1H3,(H2,23,25) |
InChIKey | InChI | 1.03 | YIRCIVHQWVHKOD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(c1)c2ccc(CNCCc3cccc(F)c3)cc2 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc(c1)c2ccc(CNCCc3cccc(F)c3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F |