12-[(3-bromophenyl)methyl]-1,4,7,10-tetrazacyclotridecane

Systemtic Name: 12-[(3-bromophenyl)methyl]-1,4,7,10-tetrazacyclotridecane Openeye Name: 12-[(3-bromophenyl)methyl]-1,4,7,10-tetrazacyclotridecane CAS Name: 12-[(3-bromophenyl)methyl]-1,4,7,10-tetrazacyclotridecane IUPAC Name: 12-[(3-bromophenyl)methyl]-1,4,7,10-tetrazacyclotridecane Traditional Name: 12-(3-bromobenzyl)-1,4,7,10-tetrazacyclotridecane Formula: C16H27BrN4 MolecularWeight: 355.31638

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(CNCCN1)CC2=CC(=CC=C2)Br

Isomeric SMILES

C1CNCCNCC(CNCCN1)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H27BrN4/c17-16-3-1-2-14(11-16)10-15-12-20-8-6-18-4-5-19-7-9-21-13-15/h1-3,11,15,18-21H,4-10,12-13H2