2-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane

Systemtic Name: 2-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 2-(p-tolylmethyl)-1,4,7,10-tetrazacyclododecane CAS Name: 2-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 2-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 2-(4-methylbenzyl)-1,4,7,10-tetrazacyclododecane Formula: C16H28N4 MolecularWeight: 276.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CNCCNCCNCCN2

Isomeric SMILES

CC1=CC=C(C=C1)CC2CNCCNCCNCCN2

InChI

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