2-(3-ethanoyl-4-phenyl-piperazin-1-yl)-2-pyridin-3-yl-ethanenitrile; methanamine

Systemtic Name: 2-(3-ethanoyl-4-phenyl-piperazin-1-yl)-2-pyridin-3-yl-ethanenitrile; methanamine Openeye Name: 2-(3-acetyl-4-phenyl-piperazin-1-yl)-2-(3-pyridyl)acetonitrile; methanamine CAS Name: 2-(3-acetyl-4-phenyl-1-piperazinyl)-2-(3-pyridinyl)acetonitrile; methanamine IUPAC Name: 2-(3-acetyl-4-phenylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile; methanamine Traditional Name: 2-(3-acetyl-4-phenyl-piperazino)-2-(3-pyridyl)acetonitrile; methylamine Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CN(CCN1C2=CC=CC=C2)C(C#N)C3=CN=CC=C3.CN

Isomeric SMILES

CC(=O)C1CN(CCN1C2=CC=CC=C2)C(C#N)C3=CN=CC=C3.CN

InChI

InChI=1S/C19H20N4O.CH5N/c1-15(24)19-14-22(18(12-20)16-6-5-9-21-13-16)10-11-23(19)17-7-3-2-4-8-17;1-2/h2-9,13,18-19H,10-11,14H2,1H3;2H2,1H3