Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(C)CC6 |
SMILES | CACTVS | 3.341 | CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(C)CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C |
InChI | InChI | 1.03 | InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31) |
InChIKey | InChI | 1.03 | PRDFBSVERLRRMY-UHFFFAOYSA-N |