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

Systemtic Name: 2-pyridin-3-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-(3-pyridyl)-2-[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)propyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-pyridin-3-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile Traditional Name: 2-(3-pyridyl)-2-[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazino]acetonitrile Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-29-20-13-17(14-21(30-2)23(20)31-3)6-7-22(28)27-11-9-26(10-12-27)19(15-24)18-5-4-8-25-16-18/h4-5,8,13-14,16,19H,6-7,9-12H2,1-3H3