Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H16F3N5O3/c23-22(24,25)14-10-27-21(30-7-5-11(31)6-8-30)28-18(14)17-16(19(32)29-20(17)33)13-9-26-15-4-2-1-3-12(13)15/h1-4,9-10,26H,5-8H2,(H,29,32,33) |
InChIKey | InChI | 1.03 | MYIILBMNTUDZDH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cnc(nc1C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)N5CCC(=O)CC5 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cnc(nc1C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)N5CCC(=O)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.5 | c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F |