1-[[2-(4-methylpyridin-2-yl)pyridin-4-yl]methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-[[2-(4-methylpyridin-2-yl)pyridin-4-yl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-[[2-(4-methyl-2-pyridyl)-4-pyridyl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-[[2-(4-methylpyridin-2-yl)pyridin-4-yl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-[[2-(4-methyl-2-pyridyl)-4-pyridyl]methyl]-1,4,8,11-tetrazacyclotetradecane Formula: C22H34N6 MolecularWeight: 382.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=NC=CC(=C2)CN3CCCNCCNCCCNCC3

Isomeric SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2)CN3CCCNCCNCCCNCC3

InChI

InChI=1S/C22H34N6/c1-19-4-9-26-21(16-19)22-17-20(5-10-27-22)18-28-14-3-8-24-12-11-23-6-2-7-25-13-15-28/h4-5,9-10,16-17,23-25H,2-3,6-8,11-15,18H2,1H3