2-[4-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(5-acetyl-2-methoxy-phenyl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-(5-acetyl-2-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(5-acetyl-2-methoxy-phenyl)acetyl]piperazino]isonicotinonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-15(26)17-3-4-19(28-2)18(12-17)13-21(27)25-9-7-24(8-10-25)20-11-16(14-22)5-6-23-20/h3-6,11-12H,7-10,13H2,1-2H3