4-[1-[4-[2-(2-bromanylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(2-bromanylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(2-bromophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(2-bromophenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(2-bromophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(2-bromophenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C26H34BrN3O MolecularWeight: 484.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=C3Br

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=C3Br

InChI

InChI=1S/C26H34BrN3O/c1-3-4-5-9-25(22-11-12-23(20-28)21(2)19-22)30-15-13-29(14-16-30)17-18-31-26-10-7-6-8-24(26)27/h6-8,10-12,19,25H,3-5,9,13-18H2,1-2H3