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6-[(3-bromophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane

6-[(3-bromophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name:6-[(3-bromophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane
Openeye Name:6-[(3-bromophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane
CAS Name:6-[(3-bromophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane
IUPAC Name:6-[(3-bromophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane
Traditional Name:6-(3-bromobenzyl)-1,4,8,11-tetrazacyclotetradecane
Formula: C17H29BrN4
MolecularWeight: 369.34296
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(CNCCNC1)CC2=CC(=CC=C2)Br


Isomeric SMILES

C1CNCCNCC(CNCCNC1)CC2=CC(=CC=C2)Br


InChI

InChI=1S/C17H29BrN4/c18-17-4-1-3-15(12-17)11-16-13-21-9-7-19-5-2-6-20-8-10-22-14-16/h1,3-4,12,16,19-22H,2,5-11,13-14H2


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