2-(2-methylpyridin-3-yl)-2-[4-(3-oxidanyl-3-phenyl-3-pyridin-3-yl-propanoyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-oxidanyl-3-phenyl-3-pyridin-3-yl-propanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[3-hydroxy-3-phenyl-3-(3-pyridyl)propanoyl]piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-[3-hydroxy-1-oxo-3-phenyl-3-(3-pyridinyl)propyl]-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(3-hydroxy-3-phenyl-3-pyridin-3-ylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-[3-hydroxy-3-phenyl-3-(3-pyridyl)propanoyl]piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)(C4=CN=CC=C4)O

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)(C4=CN=CC=C4)O

InChI

InChI=1S/C26H27N5O2/c1-20-23(10-6-12-29-20)24(18-27)30-13-15-31(16-14-30)25(32)17-26(33,21-7-3-2-4-8-21)22-9-5-11-28-19-22/h2-12,19,24,33H,13-17H2,1H3