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

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-oxidanyl-3-phenyl-butanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-hydroxy-3-phenyl-butanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-(3-hydroxy-1-oxo-3-phenylbutyl)-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(3-hydroxy-3-phenylbutanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-(3-hydroxy-3-phenyl-butanoyl)piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-17-19(9-6-10-24-17)20(16-23)25-11-13-26(14-12-25)21(27)15-22(2,28)18-7-4-3-5-8-18/h3-10,20,28H,11-15H2,1-2H3