2-[4-[2-(3,4,5-trimethoxyphenyl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[1-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazino]isonicotinonitrile Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-27-17-10-16(11-18(28-2)21(17)29-3)13-20(26)25-8-6-24(7-9-25)19-12-15(14-22)4-5-23-19/h4-5,10-12H,6-9,13H2,1-3H3