1-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]carbonylpiperazine-2-carboxylic acid

Systemtic Name: 1-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]carbonylpiperazine-2-carboxylic acid Openeye Name: 1-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazole-3-carbonyl]piperazine-2-carboxylic acid CAS Name: 1-[[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazole-3-carbonyl]piperazine-2-carboxylic acid Traditional Name: 1-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazole-3-carbonyl]piperazine-2-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)N3CCNCC3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)N3CCNCC3C(=O)O)C4=CC=CC=C4

InChI

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