Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)NC(=O)Cc2cc(nn2)c6cc5nnc(c4nc3ccccc3n4)c5cc6 |
InChI | InChI | 1.03 | InChI=1S/C25H18FN7O/c26-15-4-3-5-16(11-15)27-23(34)13-17-12-21(31-30-17)14-8-9-18-22(10-14)32-33-24(18)25-28-19-6-1-2-7-20(19)29-25/h1-12H,13H2,(H,27,34)(H,28,29)(H,30,31)(H,32,33) |
InChIKey | InChI | 1.03 | XLSVGNQXTNEETK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1cccc(NC(=O)Cc2[nH]nc(c2)c3ccc4c([nH]nc4c5[nH]c6ccccc6n5)c3)c1 |
SMILES | CACTVS | 3.370 | Fc1cccc(NC(=O)Cc2[nH]nc(c2)c3ccc4c([nH]nc4c5[nH]c6ccccc6n5)c3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F |