Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN1CCN(CC1)c3cc4nc([C@H]=Cc2ccccc2)nc(c4cc3)Nc5cc(nn5)C |
InChI | InChI | 1.03 | InChI=1S/C25H27N7/c1-18-16-24(30-29-18)28-25-21-10-9-20(32-14-12-31(2)13-15-32)17-22(21)26-23(27-25)11-8-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b11-8+ |
InChIKey | InChI | 1.03 | DKCSQCAVMRLWQW-DHZHZOJOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc3c(Nc4cc(C)[nH]n4)nc(/C=C/c5ccccc5)nc3c2 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc3c(Nc4cc(C)[nH]n4)nc(C=Cc5ccccc5)nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)/C=C/c4ccccc4)N5CCN(CC5)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)C=Cc4ccccc4)N5CCN(CC5)C |