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

Systemtic Name: 2-[4-(2,4-diphenylbutanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-(2,4-diphenylbutanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(1-oxo-2,4-diphenylbutyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(2,4-diphenylbutanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-(2,4-diphenylbutanoyl)piperazino]-2-(3-pyridyl)acetonitrile Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C(CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C(CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c28-20-26(24-12-7-15-29-21-24)30-16-18-31(19-17-30)27(32)25(23-10-5-2-6-11-23)14-13-22-8-3-1-4-9-22/h1-12,15,21,25-26H,13-14,16-19H2