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

Systemtic Name: 2-[4-[3-(methylamino)-3-phenyl-propanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-[3-(methylamino)-3-phenyl-propanoyl]piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-[3-(methylamino)-1-oxo-3-phenylpropyl]-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[3-(methylamino)-3-phenylpropanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-[3-(methylamino)-3-phenyl-propanoyl]piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C22H27N5O MolecularWeight: 377.48268

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-17-19(9-6-10-25-17)21(16-23)26-11-13-27(14-12-26)22(28)15-20(24-2)18-7-4-3-5-8-18/h3-10,20-21,24H,11-15H2,1-2H3