Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C25H32N6O/c1-30-13-15-31(16-14-30)19-5-8-21-22(17-19)28-24(29-23(21)27-12-11-26)25(9-10-25)18-3-6-20(32-2)7-4-18/h3-8,17H,9-16,26H2,1-2H3,(H,27,28,29) |
InChIKey | InChI | 1.06 | XTLPTSDXAUSHCD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2(CC2)c3nc(NCCN)c4ccc(cc4n3)N5CCN(C)CC5 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2(CC2)c3nc(NCCN)c4ccc(cc4n3)N5CCN(C)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CC4)c5ccc(cc5)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CC4)c5ccc(cc5)OC |