種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(C#N)ccc2c(c1)nc(cc2CN3CCOCC3)c4ccc(NC(=O)C)cc4 |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O2/c1-16(28)25-20-5-3-18(4-6-20)22-13-19(15-27-8-10-29-11-9-27)21-7-2-17(14-24)12-23(21)26-22/h2-7,12-13H,8-11,15H2,1H3,(H,25,28) |
InChIKey | InChI | 1.03 | VDYYVNHJRNDKDO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2cc(CN3CCOCC3)c4ccc(cc4n2)C#N |
SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2cc(CN3CCOCC3)c4ccc(cc4n2)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4 |