種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | NC(=O)c1cc(F)cc2cc(oc12)c1ccc(CNC)cc1 |
InChI | InChI | 1.06 | InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21) |
InChIKey | InChI | 1.06 | ROBJKLPZIPNAMV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)c2oc3c(cc(F)cc3C(N)=O)c2 |
SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)c2oc3c(cc(F)cc3C(N)=O)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1ccc(cc1)c2cc3cc(cc(c3o2)C(=O)N)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1ccc(cc1)c2cc3cc(cc(c3o2)C(=O)N)F |