Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)C1COC(=O)N1c1nc2c3ccc(cc3OCCn2c1)N1CCCC1C(N)=O |
InChI | InChI | 1.06 | InChI=1S/C22H27N5O4/c1-13(2)17-12-31-22(29)27(17)19-11-25-8-9-30-18-10-14(5-6-15(18)21(25)24-19)26-7-3-4-16(26)20(23)28/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3,(H2,23,28)/t16-,17-/m0/s1 |
InChIKey | InChI | 1.06 | BMGFCEIOJGMOJB-IRXDYDNUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1COC(=O)N1c2cn3CCOc4cc(ccc4c3n2)N5CCC[C@H]5C(N)=O |
SMILES | CACTVS | 3.385 | CC(C)[CH]1COC(=O)N1c2cn3CCOc4cc(ccc4c3n2)N5CCC[CH]5C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H]1COC(=O)N1c2cn3c(n2)-c4ccc(cc4OCC3)N5CCC[C@H]5C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1COC(=O)N1c2cn3c(n2)-c4ccc(cc4OCC3)N5CCCC5C(=O)N |