3-bromanyl-1-[4-iodanyl-2-(phenylmethyl)phenyl]piperazine

Systemtic Name: 3-bromanyl-1-[4-iodanyl-2-(phenylmethyl)phenyl]piperazine Openeye Name: 1-(2-benzyl-4-iodo-phenyl)-3-bromo-piperazine CAS Name: 3-bromo-1-[4-iodo-2-(phenylmethyl)phenyl]piperazine IUPAC Name: 1-(2-benzyl-4-iodophenyl)-3-bromopiperazine Traditional Name: 1-(2-benzyl-4-iodo-phenyl)-3-bromo-piperazine Formula: C17H18BrIN2 MolecularWeight: 457.14669

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C2=C(C=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)Br)C2=C(C=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C17H18BrIN2/c18-17-12-21(9-8-20-17)16-7-6-15(19)11-14(16)10-13-4-2-1-3-5-13/h1-7,11,17,20H,8-10,12H2