1,4,7-trimethyl-10-[5-(oxan-2-yloxy)pent-2-ynyl]-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,4,7-trimethyl-10-[5-(oxan-2-yloxy)pent-2-ynyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1,4,7-trimethyl-10-(5-tetrahydropyran-2-yloxypent-2-ynyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7-trimethyl-10-[5-(2-oxanyloxy)pent-2-ynyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7-trimethyl-10-[5-(oxan-2-yloxy)pent-2-ynyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1,4,7-trimethyl-10-(5-tetrahydropyran-2-yloxypent-2-ynyl)-1,4,7,10-tetrazacyclododecane Formula: C21H40N4O2 MolecularWeight: 380.5679

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCN(CCN(CC1)C)CC#CCCOC2CCCCO2)C

Isomeric SMILES

CN1CCN(CCN(CCN(CC1)C)CC#CCCOC2CCCCO2)C

InChI

InChI=1S/C21H40N4O2/c1-22-11-13-23(2)15-17-25(18-16-24(3)14-12-22)10-6-4-7-19-26-21-9-5-8-20-27-21/h21H,5,7-20H2,1-3H3