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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-1,5,9-triazacyclododecane Openeye Name: 1-[(4-vinylphenyl)methyl]-1,5,9-triazacyclododecane CAS Name: 1-[(4-ethenylphenyl)methyl]-1,5,9-triazacyclododecane IUPAC Name: 1-[(4-ethenylphenyl)methyl]-1,5,9-triazacyclododecane Traditional Name: 1-(4-vinylbenzyl)-1,5,9-triazacyclododecane Formula: C18H29N3 MolecularWeight: 287.44296

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CN2CCCNCCCNCCC2

Isomeric SMILES

C=CC1=CC=C(C=C1)CN2CCCNCCCNCCC2

InChI

InChI=1S/C18H29N3/c1-2-17-6-8-18(9-7-17)16-21-14-4-12-19-10-3-11-20-13-5-15-21/h2,6-9,19-20H,1,3-5,10-16H2