Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(ccc1)N4N=C(c3ccnn3c2ccccc2)C(=O)C(OC)=C4 |
InChI | InChI | 1.03 | InChI=1S/C21H15F3N4O2/c1-30-18-13-27(16-9-5-6-14(12-16)21(22,23)24)26-19(20(18)29)17-10-11-25-28(17)15-7-3-2-4-8-15/h2-13H,1H3 |
InChIKey | InChI | 1.03 | GZYJHHIEGNWBCR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F |
SMILES | CACTVS | 3.385 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F |