2-[4-[2-[methyl(1-phenylethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-[2-[methyl(1-phenylethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[2-[methyl(1-phenylethyl)amino]acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[2-[methyl(1-phenylethyl)amino]-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-[methyl(1-phenylethyl)amino]acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[2-[methyl(1-phenylethyl)amino]acetyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)CC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)N(C)CC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3

InChI

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