1-methyl-7-(phenylmethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1-methyl-7-(phenylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1-benzyl-7-methyl-1,4,7,10-tetrazacyclododecane CAS Name: 1-methyl-7-(phenylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-benzyl-7-methyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1-benzyl-7-methyl-1,4,7,10-tetrazacyclododecane Formula: C16H28N4 MolecularWeight: 276.42032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCCN(CCNCC1)CC2=CC=CC=C2

Isomeric SMILES

CN1CCNCCN(CCNCC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H28N4/c1-19-11-7-17-9-13-20(14-10-18-8-12-19)15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3