Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4ncccc4c1cccc(c1)C2(N=C(OC2)N)c3ccc(OC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H18FN3O2/c1-26-17-9-7-15(8-10-17)21(13-27-20(23)25-21)16-5-2-4-14(12-16)18-6-3-11-24-19(18)22/h2-12H,13H2,1H3,(H2,23,25)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | WCJQDRXUNINKDD-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)[C]2(COC(=N2)N)c3cccc(c3)c4cccnc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C2(COC(=N2)N)c3cccc(c3)c4cccnc4F |