種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n4ccc(c3cc(nnc3c1ccc2c(c1)cccc2)N(C)C)cc4 |
InChI | InChI | 1.03 | InChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3 |
InChIKey | InChI | 1.03 | ODFGOBPLQKLCRM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3 |
SMILES | CACTVS | 3.370 | CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4 |