Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O(c3cc2nc(nc(NC1CCN(C)CC1)c2cc3OC)N4CCCN(C)CC4)CCCN(C)C |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N4CCCN(C)CC4 |
SMILES | CACTVS | 3.352 | COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N4CCCN(C)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C |
InChI | InChI | 1.03 | InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29) |
InChIKey | InChI | 1.03 | XIVUGRBSBIXXJE-UHFFFAOYSA-N |