Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25) |
InChIKey | InChI | 1.06 | CPDVWRAEVIUDHW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc5c4cc[nH]5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc5c4cc[nH]5)F |