3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[5-(3-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C23H20FN3OS MolecularWeight: 405.487803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H20FN3OS/c24-20-6-2-4-18(14-20)22-8-7-21(29-22)16-26-9-11-27(12-10-26)23(28)19-5-1-3-17(13-19)15-25/h1-8,13-14H,9-12,16H2