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

Systemtic Name: 2-[4-[(E)-2,3-diphenylprop-2-enoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[(E)-2,3-diphenylprop-2-enoyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[(E)-1-oxo-2,3-diphenylprop-2-enyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[(E)-2,3-diphenylprop-2-enoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[(E)-2,3-diphenylacryloyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C26H24N4O MolecularWeight: 408.49496

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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)26(31)24(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,18,20,25H,14-17H2/b24-18+