種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | N#Cc2ccc(c1ccc(OCCN(C(=O)NO)C)cc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO |
SMILES | CACTVS | 3.341 | CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21) |
InChIKey | InChI | 1.03 | GVMUNGGWXRKCEU-UHFFFAOYSA-N |