2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-(4-pentanoylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(1-oxopentyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile Traditional Name: 2-(3-pyridyl)-2-(4-valerylpiperazino)acetonitrile Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O/c1-2-3-6-16(21)20-10-8-19(9-11-20)15(12-17)14-5-4-7-18-13-14/h4-5,7,13,15H,2-3,6,8-11H2,1H3