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

Systemtic Name: 4-[[4-[2-(4-bromanylphenoxy)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-bromophenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-bromophenoxy)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-bromophenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-bromophenoxy)propanoyl]piperazino]methyl]benzonitrile Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-16(27-20-8-6-19(22)7-9-20)21(26)25-12-10-24(11-13-25)15-18-4-2-17(14-23)3-5-18/h2-9,16H,10-13,15H2,1H3