5-ethyl-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: 5-ethyl-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: 5-ethyl-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-ethyl-1-[6-(4-methylphenoxy)-2-phenyl-4-pyrimidinyl]-4-pyrazolecarboxylate IUPAC Name: 5-ethyl-1-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-ethyl-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carboxylate Formula: C23H19N4O3- MolecularWeight: 399.42196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C)C(=O)[O-]

InChI

InChI=1S/C23H20N4O3/c1-3-19-18(23(28)29)14-24-27(19)20-13-21(30-17-11-9-15(2)10-12-17)26-22(25-20)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,28,29)/p-1