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

Systemtic Name: 2-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazino]methyl]glutaronitrile Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3Cl)CC(CCC#N)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3Cl)CC(CCC#N)C#N

InChI

InChI=1S/C21H23ClN4S/c22-20-6-2-1-5-19(20)21-8-7-18(27-21)16-26-12-10-25(11-13-26)15-17(14-24)4-3-9-23/h1-2,5-8,17H,3-4,10-13,15-16H2