Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)C=4C=C(O)C(=O)NC=4c3ccc(c2nnnn2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C18H12FN5O2/c19-13-7-5-10(6-8-13)14-9-15(25)18(26)20-16(14)11-1-3-12(4-2-11)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24) |
InChIKey | InChI | 1.03 | HSMMRXNTCXSWQT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC(=C(NC1=O)c2ccc(cc2)c3[nH]nnn3)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | OC1=CC(=C(NC1=O)c2ccc(cc2)c3[nH]nnn3)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F |