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

Systemtic Name: 2-[4-[2-(3,4-dimethylphenoxy)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-(3,4-dimethylphenoxy)-1-oxoethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazino]isonicotinonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)C

InChI

InChI=1S/C20H22N4O2/c1-15-3-4-18(11-16(15)2)26-14-20(25)24-9-7-23(8-10-24)19-12-17(13-21)5-6-22-19/h3-6,11-12H,7-10,14H2,1-2H3