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

Systemtic Name: 2-[4-(2-oxidanyl-2-phenyl-ethanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-(2-hydroxy-2-phenyl-acetyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(2-hydroxy-1-oxo-2-phenylethyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-(4-mandeloylpiperazino)-2-(3-pyridyl)acetonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C19H20N4O2/c20-13-17(16-7-4-8-21-14-16)22-9-11-23(12-10-22)19(25)18(24)15-5-2-1-3-6-15/h1-8,14,17-18,24H,9-12H2