1,2,2-tris(phenylmethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,2,2-tris(phenylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1,2,2-tribenzyl-1,4,7,10-tetrazacyclododecane CAS Name: 1,2,2-tris(phenylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,2,2-tribenzyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1,2,2-tribenzyl-1,4,7,10-tetrazacyclododecane Formula: C29H38N4 MolecularWeight: 442.63882

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C(CNCCN1)(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C(CNCCN1)(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H38N4/c1-4-10-26(11-5-1)22-29(23-27-12-6-2-7-13-27)25-32-19-18-30-16-17-31-20-21-33(29)24-28-14-8-3-9-15-28/h1-15,30-32H,16-25H2