Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c2cc1c(c3c(nc1c(c2)C)nnc3C)CN4CCOCC4)C |
InChI | InChI | 1.03 | InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21) |
InChIKey | InChI | 1.03 | UBGXXNXAPLUDQK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(C)c2nc3[nH]nc(C)c3c(CN4CCOCC4)c2c1 |
SMILES | CACTVS | 3.370 | COc1cc(C)c2nc3[nH]nc(C)c3c(CN4CCOCC4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC |