3-[[4-[2-(3,4,5-trimethoxyphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[2-(3,4,5-trimethoxyphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[2-(3,4,5-trimethoxyphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[1-oxo-2-(3,4,5-trimethoxyphenoxy)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[2-(3,4,5-trimethoxyphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[2-(3,4,5-trimethoxyphenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H27N3O5/c1-28-20-12-19(13-21(29-2)23(20)30-3)31-16-22(27)26-9-7-25(8-10-26)15-18-6-4-5-17(11-18)14-24/h4-6,11-13H,7-10,15-16H2,1-3H3