4-[[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C21H17ClFN3OS MolecularWeight: 413.895583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H17ClFN3OS/c22-19-17-6-5-16(23)11-18(17)28-20(19)21(27)26-9-7-25(8-10-26)13-15-3-1-14(12-24)2-4-15/h1-6,11H,7-10,13H2