1-[[2-phenyl-6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)pyridin-4-yl]methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-[[2-phenyl-6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)pyridin-4-yl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-[[2-phenyl-6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-4-pyridyl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-[[2-phenyl-6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-4-pyridinyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-[[2-phenyl-6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)pyridin-4-yl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-[[2-phenyl-6-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-4-pyridyl]methyl]-1,4,8,11-tetrazacyclotetradecane Formula: C33H57N9 MolecularWeight: 579.86598

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC(=NC(=C2)CN3CCCNCCNCCCNCC3)C4=CC=CC=C4

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC(=NC(=C2)CN3CCCNCCNCCCNCC3)C4=CC=CC=C4

InChI

InChI=1S/C33H57N9/c1-2-8-31(9-3-1)33-27-30(28-41-22-6-14-36-18-16-34-10-4-12-38-20-24-41)26-32(40-33)29-42-23-7-15-37-19-17-35-11-5-13-39-21-25-42/h1-3,8-9,26-27,34-39H,4-7,10-25,28-29H2