4-[[4-[3-(3-bromanylphenoxy)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(3-bromanylphenoxy)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(3-bromophenoxy)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(3-bromophenoxy)propanoyl]piperazino]methyl]benzonitrile Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c22-19-2-1-3-20(14-19)27-13-8-21(26)25-11-9-24(10-12-25)16-18-6-4-17(15-23)5-7-18/h1-7,14H,8-13,16H2