Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3 |
InChI | InChI | 1.03 | InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22) |
InChIKey | InChI | 1.03 | JEOSSXMVBYPUED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1 |
SMILES | CACTVS | 3.385 | CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N |