1,5-bis(bromanyl)-3-methylidene-9-(phenylmethyl)-1,5,9-triazacyclododecane

Systemtic Name: 1,5-bis(bromanyl)-3-methylidene-9-(phenylmethyl)-1,5,9-triazacyclododecane Openeye Name: 9-benzyl-1,5-dibromo-3-methylene-1,5,9-triazacyclododecane CAS Name: 1,5-dibromo-3-methylene-9-(phenylmethyl)-1,5,9-triazacyclododecane IUPAC Name: 9-benzyl-1,5-dibromo-3-methylidene-1,5,9-triazacyclododecane Traditional Name: 9-benzyl-1,5-dibromo-3-methylene-1,5,9-triazacyclododecane Formula: C17H25Br2N3 MolecularWeight: 431.2085

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CN(CCCN(CCCN(C1)Br)CC2=CC=CC=C2)Br

Isomeric SMILES

C=C1CN(CCCN(CCCN(C1)Br)CC2=CC=CC=C2)Br

InChI

InChI=1S/C17H25Br2N3/c1-16-13-21(18)11-5-9-20(10-6-12-22(19)14-16)15-17-7-3-2-4-8-17/h2-4,7-8H,1,5-6,9-15H2