| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#Cc5ncc2c(c1cc(cnc1n2)c3ccc(cc3)CN4CCCCC4)c5 |
| InChI | InChI | 1.03 | InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27) |
| InChIKey | InChI | 1.03 | PPYHOOZGDDPLKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cc2c([nH]c3ncc(cc23)c4ccc(CN5CCCCC5)cc4)cn1 |
| SMILES | CACTVS | 3.385 | N#Cc1cc2c([nH]c3ncc(cc23)c4ccc(CN5CCCCC5)cc4)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N |
