ethanedioic acid; 1-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 1-(4-methoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-(4-methoxyphenyl)-2-[4-(2-pyrimidyl)piperazino]ethanone; oxalic acid Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=NC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=NC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N4O2.C2H2O4/c1-23-15-5-3-14(4-6-15)16(22)13-20-9-11-21(12-10-20)17-18-7-2-8-19-17;3-1(4)2(5)6/h2-8H,9-13H2,1H3;(H,3,4)(H,5,6)