Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c2ccc(C1CCNCC1)cc2)c5nc3NCCc3c(c4cnn(CCC#N)c4)n5 |
InChI | InChI | 1.03 | InChI=1S/C23H26N8/c24-9-1-13-31-15-18(14-27-31)21-20-8-12-26-22(20)30-23(29-21)28-19-4-2-16(3-5-19)17-6-10-25-11-7-17/h2-5,14-15,17,25H,1,6-8,10-13H2,(H2,26,28,29,30) |
InChIKey | InChI | 1.03 | LADBWLAFXFHONI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N#CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C4CCNCC4)nc5NCCc25 |
SMILES | CACTVS | 3.385 | N#CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C4CCNCC4)nc5NCCc25 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N |