Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4cc2c1c(nc(c1CCNC2=O)c3ccc(cc3)CNC)c4 |
InChI | InChI | 1.03 | InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) |
InChIKey | InChI | 1.03 | HMABYWSNWIZPAG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34 |
SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3 |