Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)C1=CC(=O)n2nc(nc2N1)NCc1ccc(cc1)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C19H14F3N5O/c20-19(21,22)15-10-16(28)27-18(24-15)25-17(26-27)23-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,23,24,25,26) |
InChIKey | InChI | 1.06 | HGOVKCIZMLIJSM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C1=CC(=O)n2nc(NCc3ccc(cc3)c4ccccc4)nc2N1 |
SMILES | CACTVS | 3.385 | FC(F)(F)C1=CC(=O)n2nc(NCc3ccc(cc3)c4ccccc4)nc2N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)CNc3nc4n(n3)C(=O)C=C(N4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)CNc3nc4n(n3)C(=O)C=C(N4)C(F)(F)F |