dimethyl 5-[[4-(2-cyanophenyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(2-cyanophenyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(2-cyanophenyl)-1-piperazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C22H22N4O5/c1-30-20(27)16-11-17(21(28)31-2)13-18(12-16)24-22(29)26-9-7-25(8-10-26)19-6-4-3-5-15(19)14-23/h3-6,11-13H,7-10H2,1-2H3,(H,24,29)