| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cc(CCNC)cc(c1)OCc2cc3c(cc2)c(cc(N)n3)C |
| InChI | InChI | 1.03 | InChI=1S/C21H22N4O/c1-14-7-21(23)25-20-11-16(3-4-19(14)20)13-26-18-9-15(5-6-24-2)8-17(10-18)12-22/h3-4,7-11,24H,5-6,13H2,1-2H3,(H2,23,25) |
| InChIKey | InChI | 1.03 | QKCPYJJSYKWGHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |
| SMILES | CACTVS | 3.385 | CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N |
