2-pyridin-3-yl-2-[4-[2-(3,4,5-trimethoxyphenyl)ethanoyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-pyridin-3-yl-2-[4-[2-(3,4,5-trimethoxyphenyl)ethanoyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-(3-pyridyl)-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[1-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-pyridin-3-yl-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]acetonitrile Traditional Name: 2-(3-pyridyl)-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazino]acetonitrile Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-28-19-11-16(12-20(29-2)22(19)30-3)13-21(27)26-9-7-25(8-10-26)18(14-23)17-5-4-6-24-15-17/h4-6,11-12,15,18H,7-10,13H2,1-3H3