4-[[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-bromophenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-bromophenoxy)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-bromophenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-bromophenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O2/c21-18-2-1-3-19(12-18)26-15-20(25)24-10-8-23(9-11-24)14-17-6-4-16(13-22)5-7-17/h1-7,12H,8-11,14-15H2