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

Systemtic Name: 2-[4-[2-(1-phenylethylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[2-(1-phenylethylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[1-oxo-2-(1-phenylethylamino)ethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-(1-phenylethylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[2-(1-phenylethylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C21H25N5O MolecularWeight: 363.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NCC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O/c1-17(18-6-3-2-4-7-18)24-16-21(27)26-12-10-25(11-13-26)20(14-22)19-8-5-9-23-15-19/h2-9,15,17,20,24H,10-13,16H2,1H3