4-[[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-keto-4-(2-thienyl)butanoyl]piperazino]methyl]benzonitrile Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N3O2S/c21-14-16-3-5-17(6-4-16)15-22-9-11-23(12-10-22)20(25)8-7-18(24)19-2-1-13-26-19/h1-6,13H,7-12,15H2