Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(c(cc1Cc3oc2c(cccc2c3O)C(=O)N)F)c4nnnn4 |
InChI | InChI | 1.03 | InChI=1S/C17H12FN5O3/c18-12-6-8(4-5-9(12)17-20-22-23-21-17)7-13-14(24)10-2-1-3-11(16(19)25)15(10)26-13/h1-6,24H,7H2,(H2,19,25)(H,20,21,22,23) |
InChIKey | InChI | 1.03 | QEAANEIMWKHZNN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc2c(O)c(Cc3ccc(c(F)c3)c4[nH]nnn4)oc12 |
SMILES | CACTVS | 3.385 | NC(=O)c1cccc2c(O)c(Cc3ccc(c(F)c3)c4[nH]nnn4)oc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O |