種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C |
InChI | InChI | 1.06 | InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24) |
InChIKey | InChI | 1.06 | ZRVUXGAJUNHVRN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc23)c1C |
SMILES | CACTVS | 3.385 | CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc23)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1NC(=O)C2=NNC(=O)c3c2cccc3)C)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1NC(=O)C2=NNC(=O)c3c2cccc3)C)C(=O)C |