1-[(4-ethenylphenyl)methyl]-5,9-dimethyl-1,5,9-triazacyclododecane

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-5,9-dimethyl-1,5,9-triazacyclododecane Openeye Name: 1,5-dimethyl-9-[(4-vinylphenyl)methyl]-1,5,9-triazacyclododecane CAS Name: 1-[(4-ethenylphenyl)methyl]-5,9-dimethyl-1,5,9-triazacyclododecane IUPAC Name: 1-[(4-ethenylphenyl)methyl]-5,9-dimethyl-1,5,9-triazacyclododecane Traditional Name: 1,5-dimethyl-9-(4-vinylbenzyl)-1,5,9-triazacyclododecane Formula: C20H33N3 MolecularWeight: 315.49612

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CCCN(CCC1)CC2=CC=C(C=C2)C=C)C

Isomeric SMILES

CN1CCCN(CCCN(CCC1)CC2=CC=C(C=C2)C=C)C

InChI

InChI=1S/C20H33N3/c1-4-19-8-10-20(11-9-19)18-23-16-6-14-21(2)12-5-13-22(3)15-7-17-23/h4,8-11H,1,5-7,12-18H2,2-3H3