種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C23H18FN5O4/c1-32-20-14-28(18-8-7-16(13-17(18)24)27-11-12-33-23(27)31)26-21(22(20)30)19-9-10-25-29(19)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3 |
InChIKey | InChI | 1.03 | OGYUWIMZDXHPEF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O |
SMILES | CACTVS | 3.385 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O |
SMILES | OpenEye OEToolkits | 1.9.2 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O |