種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33) |
InChIKey | InChI | 1.03 | GBIQEYYBFBGNOZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3F)C(=O)NO |
SMILES | CACTVS | 3.385 | CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3F)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2F)C(=O)NO)CC(=O)NCc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2F)C(=O)NO)CC(=O)NCc3ccccc3 |