ethyl 3-(pyridin-3-ylmethoxy)-1-(pyridin-3-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(pyridin-3-ylmethoxy)-1-(pyridin-3-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-(3-pyridylmethoxy)-1-(3-pyridylmethyl)pyrazole-4-carboxylate CAS Name: 3-(3-pyridinylmethoxy)-1-(3-pyridinylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(pyridin-3-ylmethoxy)-1-(pyridin-3-ylmethyl)pyrazole-4-carboxylate Traditional Name: 3-(3-pyridylmethoxy)-1-(3-pyridylmethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1OCC2=CN=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN(N=C1OCC2=CN=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C18H18N4O3/c1-2-24-18(23)16-12-22(11-14-5-3-7-19-9-14)21-17(16)25-13-15-6-4-8-20-10-15/h3-10,12H,2,11,13H2,1H3