2-[[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-[[5-(4-bromophenyl)-2-thienyl]methyl]piperazin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-[[5-(4-bromophenyl)-2-thiophenyl]methyl]-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[[4-[[5-(4-bromophenyl)-2-thienyl]methyl]piperazino]methyl]glutaronitrile Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=C(C=C3)Br)CC(CCC#N)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=C(C=C3)Br)CC(CCC#N)C#N

InChI

InChI=1S/C21H23BrN4S/c22-19-5-3-18(4-6-19)21-8-7-20(27-21)16-26-12-10-25(11-13-26)15-17(14-24)2-1-9-23/h3-8,17H,1-2,10-13,15-16H2