Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(C)CC3)N(C)CCC |
InChI | InChI | 1.03 | InChI=1S/C20H31N5O2/c1-6-9-25(3)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-7-10-24(2)11-8-14/h12-14H,6-11H2,1-5H3,(H,21,22,23) |
InChIKey | InChI | 1.03 | RCWUUMJJJVFQSV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCN(C)c1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1 |
SMILES | CACTVS | 3.385 | CCCN(C)c1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC |