1-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]carbonyl-4-methyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]carbonyl-4-methyl-piperazine-2-carboxylic acid Openeye Name: 1-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazole-3-carbonyl]-4-methyl-piperazine-2-carboxylic acid CAS Name: 1-[[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-4-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazole-3-carbonyl]-4-methylpiperazine-2-carboxylic acid Traditional Name: 1-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazole-3-carbonyl]-4-methyl-piperazine-2-carboxylic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)O)C(=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCN(C(C1)C(=O)O)C(=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C22H23N5O4/c1-25-10-11-26(19(14-25)22(29)30)21(28)17-12-18(15-6-4-3-5-7-15)27(24-17)16-8-9-20(31-2)23-13-16/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,29,30)