2-[4-(3-oxidanyl-3,3-diphenyl-propanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-(3-oxidanyl-3,3-diphenyl-propanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-(3-hydroxy-3,3-diphenyl-propanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-(3-hydroxy-1-oxo-3,3-diphenylpropyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-(3-hydroxy-3,3-diphenyl-propanoyl)piperazino]-2-(3-pyridyl)acetonitrile Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2/c27-19-24(21-8-7-13-28-20-21)29-14-16-30(17-15-29)25(31)18-26(32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,20,24,32H,14-18H2