1,4-bis(pyridin-2-ylmethyl)-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1,4-bis(pyridin-2-ylmethyl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,4-bis(2-pyridylmethyl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,4-bis(2-pyridinylmethyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,4-bis(pyridin-2-ylmethyl)-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,4-bis(2-pyridylmethyl)-1,4,8,11-tetrazacyclotetradecane Formula: C22H34N6 MolecularWeight: 382.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCN(C1)CC2=CC=CC=N2)CC3=CC=CC=N3

Isomeric SMILES

C1CNCCNCCCN(CCN(C1)CC2=CC=CC=N2)CC3=CC=CC=N3

InChI

InChI=1S/C22H34N6/c1-3-11-25-21(7-1)19-27-15-5-9-23-13-14-24-10-6-16-28(18-17-27)20-22-8-2-4-12-26-22/h1-4,7-8,11-12,23-24H,5-6,9-10,13-20H2