種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCC)cc(Cl)c2)C(=O)N1 |
InChI | InChI | 1.03 | InChI=1S/C23H19ClN4O4/c1-2-6-32-18-8-14(7-16(24)10-18)19-9-15(20-12-26-23(31)27-21(20)29)13-28(22(19)30)17-4-3-5-25-11-17/h3-5,7-13H,2,6H2,1H3,(H2,26,27,29,31) |
InChIKey | InChI | 1.03 | GJCBTWHGKCNYAB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1cc(Cl)cc(c1)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O |
SMILES | CACTVS | 3.385 | CCCOc1cc(Cl)cc(c1)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O |