Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c3cc1c(nc(nc1NC2CCN(CCCCCN)CC2)NCCCN(C)C)cc3OCCCCCN)C |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2c(NC3CCN(CCCCCN)CC3)nc(NCCCN(C)C)nc2cc1OCCCCCN |
SMILES | CACTVS | 3.370 | COc1cc2c(NC3CCN(CCCCCN)CC3)nc(NCCCN(C)C)nc2cc1OCCCCCN |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN |
InChI | InChI | 1.03 | InChI=1S/C29H52N8O2/c1-36(2)16-10-15-32-29-34-25-22-27(39-20-9-5-7-14-31)26(38-3)21-24(25)28(35-29)33-23-11-18-37(19-12-23)17-8-4-6-13-30/h21-23H,4-20,30-31H2,1-3H3,(H2,32,33,34,35) |
InChIKey | InChI | 1.03 | DCGOBPRQIYFVOD-UHFFFAOYSA-N |