Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(O)(=O)CCNc3nc(nc(N2CCc1ccccc1CC2)c3)c4ncccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26) |
InChIKey | InChI | 1.03 | AVZCPICCWKMZDT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3 |
SMILES | CACTVS | 3.385 | OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O |