種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | [n+]3(c(c1ccc(F)cc1)c2cccn2cc3)CC(=O)c4ccc(cc4)C |
InChI | InChI | 1.03 | InChI=1S/C22H18FN2O/c1-16-4-6-17(7-5-16)21(26)15-25-14-13-24-12-2-3-20(24)22(25)18-8-10-19(23)11-9-18/h2-14H,15H2,1H3/q+1 |
InChIKey | InChI | 1.03 | ZBYPLLMQZPJMEM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F |