2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[(E)-3-phenylacryloyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C20H20N4O MolecularWeight: 332.399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O/c21-15-19(18-7-4-10-22-16-18)23-11-13-24(14-12-23)20(25)9-8-17-5-2-1-3-6-17/h1-10,16,19H,11-14H2/b9-8+