4-[[4-(5-bromanylthiophen-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-bromanylthiophen-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-bromo-3-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-bromothiophene-3-carbonyl)piperazino]methyl]benzonitrile Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3OS/c18-16-9-15(12-23-16)17(22)21-7-5-20(6-8-21)11-14-3-1-13(10-19)2-4-14/h1-4,9,12H,5-8,11H2