Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N |
InChI | InChI | 1.03 | InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28) |
InChIKey | InChI | 1.03 | NZFRFODKYHOBEA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(CNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
SMILES | CACTVS | 3.385 | Nc1cccc(CNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N |