種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1cccc2cncc(NC(=O)C3CN(CC(=O)NC)C(=O)c4ccc(Cl)cc43)c12 |
InChI | InChI | 1.06 | InChI=1S/C23H21ClN4O3/c1-13-4-3-5-14-9-26-10-19(21(13)14)27-22(30)18-11-28(12-20(29)25-2)23(31)16-7-6-15(24)8-17(16)18/h3-10,18H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | SCCMCXOVZPXNKG-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cccc(C)c23)c4cc(Cl)ccc4C1=O |
SMILES | CACTVS | 3.385 | CNC(=O)CN1C[CH](C(=O)Nc2cncc3cccc(C)c23)c4cc(Cl)ccc4C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(cnc2)NC(=O)[C@@H]3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(cnc2)NC(=O)C3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC |