4-[[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5OS/c28-17-21-8-10-23(11-9-21)18-30-12-14-31(15-13-30)27(33)24-20-32(19-22-5-2-1-3-6-22)29-26(24)25-7-4-16-34-25/h1-11,16,20H,12-15,18-19H2