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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c1-27(23-10-4-2-5-11-23,24-12-6-3-7-13-24)19-26(32)31-17-15-30(16-18-31)25(20-28)22-9-8-14-29-21-22/h2-14,21,25H,15-19H2,1H3