2-(4-ethanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile; phenylmethanamine

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile; phenylmethanamine Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile; phenylmethanamine CAS Name: 2-(4-acetyl-1-piperazinyl)-2-(3-pyridinyl)acetonitrile; phenylmethanamine IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile; phenylmethanamine Traditional Name: 2-(4-acetylpiperazino)-2-(3-pyridyl)acetonitrile; benzylamine Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2.C1=CC=C(C=C1)CN

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2.C1=CC=C(C=C1)CN

InChI

InChI=1S/C13H16N4O.C7H9N/c1-11(18)16-5-7-17(8-6-16)13(9-14)12-3-2-4-15-10-12;8-6-7-4-2-1-3-5-7/h2-4,10,13H,5-8H2,1H3;1-5H,6,8H2