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

Systemtic Name: 4-[[4-[4-(3-bromanylphenoxy)butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(3-bromophenoxy)butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(3-bromophenoxy)-1-oxobutyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(3-bromophenoxy)butanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(3-bromophenoxy)butanoyl]piperazino]methyl]benzonitrile Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H24BrN3O2/c23-20-3-1-4-21(15-20)28-14-2-5-22(27)26-12-10-25(11-13-26)17-19-8-6-18(16-24)7-9-19/h1,3-4,6-9,15H,2,5,10-14,17H2