Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(O)cc6 |
SMILES | CACTVS | 3.341 | CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(O)cc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O |
InChI | InChI | 1.03 | InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29) |
InChIKey | InChI | 1.03 | INAAIJLSXJJHOZ-UHFFFAOYSA-N |