methyl 1-(6-chloranylpyridazin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-(6-chloranylpyridazin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)pyrazole-3-carboxylate Openeye Name: methyl 5-(5-benzyloxy-2-pyridyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate CAS Name: 1-(6-chloro-3-pyridazinyl)-5-(5-phenylmethoxy-2-pyridinyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(6-chloropyridazin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)pyrazole-3-carboxylate Traditional Name: 5-(5-benzoxy-2-pyridyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylic acid methyl ester Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=NC=C(C=C2)OCC3=CC=CC=C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=NC=C(C=C2)OCC3=CC=CC=C3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5O3/c1-29-21(28)17-11-18(27(26-17)20-10-9-19(22)24-25-20)16-8-7-15(12-23-16)30-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3