2-[4-[2-(3-phenylpropylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-[2-(3-phenylpropylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[2-(3-phenylpropylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[1-oxo-2-(3-phenylpropylamino)ethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-(3-phenylpropylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[2-(3-phenylpropylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNCCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O/c23-16-21(20-9-5-11-24-17-20)26-12-14-27(15-13-26)22(28)18-25-10-4-8-19-6-2-1-3-7-19/h1-3,5-7,9,11,17,21,25H,4,8,10,12-15,18H2