4-(phenylmethyl)-1,4,7,10-tetrazacyclotridecane

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCN(CCNC1)CC2=CC=CC=C2

Isomeric SMILES

C1CNCCNCCN(CCNC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H28N4/c1-2-5-16(6-3-1)15-20-13-11-18-8-4-7-17-9-10-19-12-14-20/h1-3,5-6,17-19H,4,7-15H2