4-[[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazino]methyl]benzonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H21N5O2S/c22-13-16-1-3-17(4-2-16)14-25-8-10-26(11-9-25)20(27)6-5-19-23-21(24-28-19)18-7-12-29-15-18/h1-4,7,12,15H,5-6,8-11,14H2