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

Systemtic Name: 1-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-[[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-[4-[[4-(2-pyrimidyl)piperazino]methyl]benzyl]-1,4,8,11-tetrazacyclotetradecane Formula: C26H42N8 MolecularWeight: 466.66528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N8/c1-8-27-13-14-28-10-3-16-32(17-15-29-9-1)22-24-4-6-25(7-5-24)23-33-18-20-34(21-19-33)26-30-11-2-12-31-26/h2,4-7,11-12,27-29H,1,3,8-10,13-23H2