種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F |
InChI | InChI | 1.03 | InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25) |
InChIKey | InChI | 1.03 | LIVYVCAUBHXIMI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1nc(ncc1F)c2cc(n(Cc3ccccc3F)n2)c4ccon4 |
SMILES | CACTVS | 3.385 | Oc1nc(ncc1F)c2cc(n(Cc3ccccc3F)n2)c4ccon4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F |