1-(3-methoxyphenyl)-7-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1-(3-methoxyphenyl)-7-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1-(3-methoxyphenyl)-7-(2-pyridylmethyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1-(3-methoxyphenyl)-7-(2-pyridinylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-(3-methoxyphenyl)-7-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane Traditional Name: 1-(3-methoxyphenyl)-7-(2-pyridylmethyl)-1,4,7,10-tetrazacyclododecane Formula: C21H31N5O MolecularWeight: 369.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCNCCN(CCNCC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)N2CCNCCN(CCNCC2)CC3=CC=CC=N3

InChI

InChI=1S/C21H31N5O/c1-27-21-7-4-6-20(17-21)26-15-11-22-9-13-25(14-10-23-12-16-26)18-19-5-2-3-8-24-19/h2-8,17,22-23H,9-16,18H2,1H3