種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1OC)c4cc3Nc2c(cccc2)NC(=O)c3cc4 |
InChI | InChI | 1.03 | InChI=1S/C21H16N2O4/c1-27-19-11-13(7-9-15(19)21(25)26)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)(H,25,26) |
InChIKey | InChI | 1.03 | OEIBPYXEHRSJOU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(ccc1C(O)=O)c2ccc3C(=O)Nc4ccccc4Nc3c2 |
SMILES | CACTVS | 3.370 | COc1cc(ccc1C(O)=O)c2ccc3C(=O)Nc4ccccc4Nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O |