Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4 |
SMILES_CANONICAL | CACTVS | 3.370 | ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4ccccc24 |
SMILES | CACTVS | 3.370 | ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24) |
InChIKey | InChI | 1.03 | ADHFMENDOUEJRK-UHFFFAOYSA-N |