2-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]acetonitrile Traditional Name: 2-(4-homoveratroylpiperazino)acetonitrile Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC#N)OC

InChI

InChI=1S/C16H21N3O3/c1-21-14-4-3-13(11-15(14)22-2)12-16(20)19-9-7-18(6-5-17)8-10-19/h3-4,11H,6-10,12H2,1-2H3