Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3(c(c(c2cc1cnccc1n2)cn3)O)c4cc(CNC(CCCC)=O)ccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H23N5O2/c1-2-3-7-21(28)24-12-15-5-4-6-17(10-15)27-22(29)18(14-25-27)20-11-16-13-23-9-8-19(16)26-20/h4-6,8-11,13-14,26,29H,2-3,7,12H2,1H3,(H,24,28) |
InChIKey | InChI | 1.03 | QHVJCCLHYRIBOU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 |
SMILES | CACTVS | 3.385 | CCCCC(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O |