1-(phenylmethyl)-1,5,9-triazacyclododecane

Systemtic Name: 1-(phenylmethyl)-1,5,9-triazacyclododecane Openeye Name: 1-benzyl-1,5,9-triazacyclododecane CAS Name: 1-(phenylmethyl)-1,5,9-triazacyclododecane IUPAC Name: 1-benzyl-1,5,9-triazacyclododecane Traditional Name: 1-benzyl-1,5,9-triazacyclododecane Formula: C16H27N3 MolecularWeight: 261.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(CCCNC1)CC2=CC=CC=C2

Isomeric SMILES

C1CNCCCN(CCCNC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H27N3/c1-2-7-16(8-3-1)15-19-13-5-11-17-9-4-10-18-12-6-14-19/h1-3,7-8,17-18H,4-6,9-15H2