ethanedioic acid; N-(4-ethanoylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: ethanedioic acid; N-(4-ethanoylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-(4-acetylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide; oxalic acid IUPAC Name: N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(4-acetylphenyl)-2-[4-(2-pyrimidyl)piperazino]acetamide; oxalic acid Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2.C2H2O4/c1-14(24)15-3-5-16(6-4-15)21-17(25)13-22-9-11-23(12-10-22)18-19-7-2-8-20-18;3-1(4)2(5)6/h2-8H,9-13H2,1H3,(H,21,25);(H,3,4)(H,5,6)