種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n1cccnc1N5CCN(c4nnc(c2ccccc2)c(c3ccncc3)c4)CC5 |
InChI | InChI | 1.03 | InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2 |
InChIKey | InChI | 1.03 | OAXXZZBGZDNSGE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5 |
SMILES | CACTVS | 3.370 | C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5 |