2-[4-(4-phenylbutanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-(4-phenylbutanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-(4-phenylbutanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(1-oxo-4-phenylbutyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(4-phenylbutanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-(4-phenylbutanoyl)piperazino]-2-(3-pyridyl)acetonitrile Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O/c22-16-20(19-9-5-11-23-17-19)24-12-14-25(15-13-24)21(26)10-4-8-18-6-2-1-3-7-18/h1-3,5-7,9,11,17,20H,4,8,10,12-15H2