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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-5-methyl-1,5,9-triazacyclododecane Openeye Name: 1-methyl-5-[(4-vinylphenyl)methyl]-1,5,9-triazacyclododecane CAS Name: 1-[(4-ethenylphenyl)methyl]-5-methyl-1,5,9-triazacyclododecane IUPAC Name: 1-[(4-ethenylphenyl)methyl]-5-methyl-1,5,9-triazacyclododecane Traditional Name: 1-methyl-5-(4-vinylbenzyl)-1,5,9-triazacyclododecane Formula: C19H31N3 MolecularWeight: 301.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCNCCCN(CCC1)CC2=CC=C(C=C2)C=C

Isomeric SMILES

CN1CCCNCCCN(CCC1)CC2=CC=C(C=C2)C=C

InChI

InChI=1S/C19H31N3/c1-3-18-7-9-19(10-8-18)17-22-15-5-12-20-11-4-13-21(2)14-6-16-22/h3,7-10,20H,1,4-6,11-17H2,2H3