diethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-1H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-1H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-1H-pyridine-3,5-dicarboxylate CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-keto-6-[4-(4-methoxyphenyl)piperazino]-1H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-4-30-21(27)17-14-18(22(28)31-5-2)20(26)23-19(17)25-12-10-24(11-13-25)15-6-8-16(29-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3,(H,23,26)