2-[4-[2-[phenyl-(phenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-[2-[phenyl-(phenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[2-(N-benzylanilino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[1-oxo-2-(N-(phenylmethyl)anilino)ethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-(N-benzylanilino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[2-(N-benzylanilino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CN(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CN(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O/c27-18-25(23-10-7-13-28-19-23)29-14-16-30(17-15-29)26(32)21-31(24-11-5-2-6-12-24)20-22-8-3-1-4-9-22/h1-13,19,25H,14-17,20-21H2