種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2(nc1n(cc(cc1)F)c2NCc3ccc(OC)cc3)c4ccccc4O |
InChI | InChI | 1.03 | InChI=1S/C21H18FN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3 |
InChIKey | InChI | 1.03 | QBNMSKFVSPKNSV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNc2n3cc(F)ccc3nc2c4ccccc4O)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(CNc2n3cc(F)ccc3nc2c4ccccc4O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O |