Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c5cccc(c1ccc(OC)cc1)n5nc2Nc4ccc(N3CCN(C)CC3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C24H26N6O/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(31-2)13-7-18/h3-13H,14-17H2,1-2H3,(H,25,27) |
InChIKey | InChI | 1.03 | DPVQBIWIVWTDRV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)c2cccc3nc(Nc4ccc(cc4)N5CCN(C)CC5)nn23 |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)c2cccc3nc(Nc4ccc(cc4)N5CCN(C)CC5)nn23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC |