種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(=N)(\c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO |
InChI | InChI | 1.03 | InChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23) |
InChIKey | InChI | 1.03 | NZOIAPIDYRJDOM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2)C(=N)NO |
SMILES | CACTVS | 3.385 | CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2)C(=N)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(c1cccc(c1)C(=N)NO)NC(=O)Nc2ccc(cc2)Cl |