種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O |
InChI | InChI | 1.03 | InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 |
InChIKey | InChI | 1.03 | OFBIFZUFASYYRE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23 |
SMILES | CACTVS | 3.385 | CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F |