1,4,7,10-tetrakis(pyridin-3-ylmethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,4,7,10-tetrakis(pyridin-3-ylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1,4,7,10-tetrakis(3-pyridylmethyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7,10-tetrakis(3-pyridinylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7,10-tetrakis(pyridin-3-ylmethyl)-1,4,7,10-tetrazacyclododecane Traditional Name: 1,4,7,10-tetrakis(3-pyridylmethyl)-1,4,7,10-tetrazacyclododecane Formula: C32H40N8 MolecularWeight: 536.7136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC2=CN=CC=C2)CC3=CN=CC=C3)CC4=CN=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC2=CN=CC=C2)CC3=CN=CC=C3)CC4=CN=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C32H40N8/c1-5-29(21-33-9-1)25-37-13-15-38(26-30-6-2-10-34-22-30)17-19-40(28-32-8-4-12-36-24-32)20-18-39(16-14-37)27-31-7-3-11-35-23-31/h1-12,21-24H,13-20,25-28H2