Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(ccc2c1ncc2)CCc3cc(cc(c3)CN)CCc4nc(N)cc(c4)C |
InChI | InChI | 1.03 | InChI=1S/C24H27N5/c1-16-10-22(28-23(26)11-16)6-3-18-12-17(13-19(14-18)15-25)2-5-21-7-4-20-8-9-27-24(20)29-21/h4,7-14H,2-3,5-6,15,25H2,1H3,(H2,26,28)(H,27,29) |
InChIKey | InChI | 1.03 | WRRLIUHCTMZNNL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(CN)cc(CCc3ccc4cc[nH]c4n3)c2)c1 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(CN)cc(CCc3ccc4cc[nH]c4n3)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3 |