Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2cc(c1cccc(c1)C(O)NCCN(C)C)n3nc(ccc23)c4ccc(O)c(OC)c4 |
InChI | InChI | 1.03 | InChI=1S/C24H27N5O3/c1-28(2)12-11-25-24(31)18-6-4-5-17(13-18)20-15-26-23-10-8-19(27-29(20)23)16-7-9-21(30)22(14-16)32-3/h4-10,13-15,24-25,30-31H,11-12H2,1-3H3/t24-/m1/s1 |
InChIKey | InChI | 1.03 | ASDVVHQAXNTHHM-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)c2ccc3ncc(n3n2)c4cccc(c4)[C@@H](O)NCCN(C)C |
SMILES | CACTVS | 3.385 | COc1cc(ccc1O)c2ccc3ncc(n3n2)c4cccc(c4)[CH](O)NCCN(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)CCNC(c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O |