2-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[[5-(3-chlorophenyl)-2-thienyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[[5-(3-chlorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[[5-(3-chlorophenyl)-2-thienyl]methyl]piperazino]nicotinonitrile Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)Cl)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)Cl)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C21H19ClN4S/c22-18-5-1-3-16(13-18)20-7-6-19(27-20)15-25-9-11-26(12-10-25)21-17(14-23)4-2-8-24-21/h1-8,13H,9-12,15H2