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

Systemtic Name: 1,7-diethyl-4-(3-methoxyphenyl)-10-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1,7-diethyl-4-(3-methoxyphenyl)-10-(2-pyridylmethyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,7-diethyl-4-(3-methoxyphenyl)-10-(2-pyridinylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,7-diethyl-4-(3-methoxyphenyl)-10-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane Traditional Name: 1,7-diethyl-4-(3-methoxyphenyl)-10-(2-pyridylmethyl)-1,4,7,10-tetrazacyclododecane Formula: C25H39N5O MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CCN(CCN(CC1)C2=CC(=CC=C2)OC)CC)CC3=CC=CC=N3

Isomeric SMILES

CCN1CCN(CCN(CCN(CC1)C2=CC(=CC=C2)OC)CC)CC3=CC=CC=N3

InChI

InChI=1S/C25H39N5O/c1-4-27-13-15-29(22-23-9-6-7-12-26-23)16-14-28(5-2)18-20-30(19-17-27)24-10-8-11-25(21-24)31-3/h6-12,21H,4-5,13-20,22H2,1-3H3