3-[4-(2,2-diphenylethanoyl)piperazin-1-yl]-2-pyridin-3-yl-propanenitrile

Systemtic Name: 3-[4-(2,2-diphenylethanoyl)piperazin-1-yl]-2-pyridin-3-yl-propanenitrile Openeye Name: 3-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-(3-pyridyl)propanenitrile CAS Name: 3-[4-(1-oxo-2,2-diphenylethyl)-1-piperazinyl]-2-(3-pyridinyl)propanenitrile IUPAC Name: 3-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile Traditional Name: 3-[4-(2,2-diphenylacetyl)piperazino]-2-(3-pyridyl)propionitrile Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O/c27-18-24(23-12-7-13-28-19-23)20-29-14-16-30(17-15-29)26(31)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,19,24-25H,14-17,20H2