Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3 |
InChI | InChI | 1.03 | InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23) |
InChIKey | InChI | 1.03 | DURWIDBNTFVYBY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2 |
SMILES | CACTVS | 3.385 | Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N |