1-methyl-8-(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-methyl-8-(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-benzyl-8-methyl-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-methyl-8-(phenylmethyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-benzyl-8-methyl-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-benzyl-8-methyl-1,4,8,11-tetrazacyclotetradecane Formula: C18H32N4 MolecularWeight: 304.47348

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCNCCN(CCCNCC1)CC2=CC=CC=C2

Isomeric SMILES

CN1CCCNCCN(CCCNCC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H32N4/c1-21-13-5-9-20-12-16-22(14-6-10-19-11-15-21)17-18-7-3-2-4-8-18/h2-4,7-8,19-20H,5-6,9-17H2,1H3