4-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazole-3-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazole-3-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazole-3-carbonyl]piperazine-1-carboxylic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4/c1-30-19-8-7-16(14-22-19)26-18(15-5-3-2-4-6-15)13-17(23-26)20(27)24-9-11-25(12-10-24)21(28)29/h2-8,13-14H,9-12H2,1H3,(H,28,29)