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

Systemtic Name: 1-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-[[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-[[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-[4-[[4-(2-pyridyl)piperazino]methyl]benzyl]-1,4,8,11-tetrazacyclotetradecane Formula: C27H43N7 MolecularWeight: 465.67722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H43N7/c1-2-13-31-27(5-1)34-21-19-33(20-22-34)24-26-8-6-25(7-9-26)23-32-17-4-12-29-15-14-28-10-3-11-30-16-18-32/h1-2,5-9,13,28-30H,3-4,10-12,14-24H2