種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2[n+](c(c1ccc(F)cc1)c3cccn3c2)CC(=O)c4ccc(cc4)F |
InChI | InChI | 1.03 | InChI=1S/C21H15F2N2O/c22-17-7-3-15(4-8-17)20(26)14-25-13-12-24-11-1-2-19(24)21(25)16-5-9-18(23)10-6-16/h1-13H,14H2/q+1 |
InChIKey | InChI | 1.03 | QVAOSDLYVRSWEJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F |