種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | OC=1C(=O)C=C(C)OC=1C(=O)NCc1ccc(cc1)c1ccccc1C#N |
InChI | InChI | 1.06 | InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)11-22/h2-10,25H,12H2,1H3,(H,23,26) |
InChIKey | InChI | 1.06 | UUYHLQXDQANMMD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C(=C(O1)C(=O)NCc2ccc(cc2)c3ccccc3C#N)O |
SMILES | CACTVS | 3.385 | CC1=CC(=O)C(=C(O1)C(=O)NCc2ccc(cc2)c3ccccc3C#N)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=C(O1)C(=O)NCc2ccc(cc2)c3ccccc3C#N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=C(O1)C(=O)NCc2ccc(cc2)c3ccccc3C#N)O |