Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3cc(c1c2cc(OC)c(OC)cc2nnc1)cc(c3N4CCC(CC4)C(O)(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3 |
InChIKey | InChI | 1.03 | PPAWFHDEPAUENY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2nncc(c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC |
SMILES | CACTVS | 3.370 | COc1cc2nncc(c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC |