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

Systemtic Name: 4-[[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazino]methyl]benzonitrile Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2/c22-19-5-7-21(8-6-19)27-16-20(26)15-25-11-9-24(10-12-25)14-18-3-1-17(13-23)2-4-18/h1-8,20,26H,9-12,14-16H2