種別 | プログラム | バージョン | 表記 |
SMILES_CANONICAL | CACTVS | 3.352 | Clc1ccc(cc1)c2ccc(cc2)C(=O)N[C@@H](Cn3ccnc3)c4ccccc4 |
SMILES | CACTVS | 3.352 | Clc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](Cn3ccnc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | CIFIVCCKVZFJFT-QHCPKHFHSA-N |