1-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-[[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-[4-[(4-phenylpiperazino)methyl]benzyl]-1,4,8,11-tetrazacyclotetradecane Formula: C28H44N6 MolecularWeight: 464.68916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N6/c1-2-6-28(7-3-1)34-22-20-33(21-23-34)25-27-10-8-26(9-11-27)24-32-18-5-14-30-16-15-29-12-4-13-31-17-19-32/h1-3,6-11,29-31H,4-5,12-25H2