種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)NC(=O)/N=C3\C=C(NN3c2ccccc2)C(C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Cl)cc2)N(N1)c3ccccc3 |
SMILES | CACTVS | 3.341 | CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Cl)cc2)N(N1)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C20H21ClN4O/c1-20(2,3)17-13-18(25(24-17)16-7-5-4-6-8-16)23-19(26)22-15-11-9-14(21)10-12-15/h4-13,24H,1-3H3,(H,22,26)/b23-18+ |
InChIKey | InChI | 1.03 | PEGHHVFLTANTIZ-PTGBLXJZSA-N |