種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O |
InChI | InChI | 1.06 | InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1 |
InChIKey | InChI | 1.06 | SATVLGDJXZFYJA-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O |
SMILES | CACTVS | 3.385 | CC(=O)NNC(=O)[CH]1Cc2ccccc2CN1C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C |