3-[4-[4-phenyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[4-phenyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[4-phenyl-1-(3-pyridylmethyl)pyrrole-3-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 3-[4-[oxo-[4-phenyl-1-(3-pyridinylmethyl)-3-pyrrolyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-[4-phenyl-1-(pyridin-3-ylmethyl)pyrrole-3-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 3-[4-[4-phenyl-1-(3-pyridylmethyl)pyrrole-3-carbonyl]piperazino]benzonitrile Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=CN(C=C3C4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=CN(C=C3C4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C28H25N5O/c29-17-22-6-4-10-25(16-22)32-12-14-33(15-13-32)28(34)27-21-31(19-23-7-5-11-30-18-23)20-26(27)24-8-2-1-3-9-24/h1-11,16,18,20-21H,12-15,19H2