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

Systemtic Name: 5-(4-ethoxypyridin-2-yl)-2-[1-(6-methoxypyridin-3-yl)pyrazol-3-yl]carbonyl-piperazine-1-carboxylic acid Openeye Name: 5-(4-ethoxy-2-pyridyl)-2-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid CAS Name: 5-(4-ethoxy-2-pyridinyl)-2-[[1-(6-methoxy-3-pyridinyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 5-(4-ethoxypyridin-2-yl)-2-[1-(6-methoxypyridin-3-yl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid Traditional Name: 5-(4-ethoxy-2-pyridyl)-2-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC=C1)C2CN(C(CN2)C(=O)C3=NN(C=C3)C4=CN=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCOC1=CC(=NC=C1)C2CN(C(CN2)C(=O)C3=NN(C=C3)C4=CN=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C22H24N6O5/c1-3-33-15-6-8-23-17(10-15)18-13-27(22(30)31)19(12-24-18)21(29)16-7-9-28(26-16)14-4-5-20(32-2)25-11-14/h4-11,18-19,24H,3,12-13H2,1-2H3,(H,30,31)