dimethyl 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C21H24N4O5/c1-29-20(27)15-11-16(21(28)30-2)13-17(12-15)23-19(26)14-24-7-9-25(10-8-24)18-5-3-4-6-22-18/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,26)