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

Systemtic Name: 2-[4-[2-[(phenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-[4-[2-(benzylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-[4-[1-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-[4-[2-(benzylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-[4-[2-(benzylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile chloride Formula: C20H23ClN5O- MolecularWeight: 384.88252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H23N5O.ClH/c21-13-19(18-7-4-8-22-15-18)24-9-11-25(12-10-24)20(26)16-23-14-17-5-2-1-3-6-17;/h1-8,15,19,23H,9-12,14,16H2;1H/p-1