ethyl 5-cyano-6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-[4-(4-methoxyphenyl)piperazino]-1H-pyridine-3-carboxylic acid ethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C20H22N4O4/c1-3-28-20(26)17-12-14(13-21)18(22-19(17)25)24-10-8-23(9-11-24)15-4-6-16(27-2)7-5-15/h4-7,12H,3,8-11H2,1-2H3,(H,22,25)