4-[[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C21H18FN3OS MolecularWeight: 379.450523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H18FN3OS/c22-18-2-1-3-19-17(18)12-20(27-19)21(26)25-10-8-24(9-11-25)14-16-6-4-15(13-23)5-7-16/h1-7,12H,8-11,14H2