pyridin-2-ylmethyl 1-phenyl-5-pyridin-3-yl-pyrazole-3-carboxylate

Systemtic Name: pyridin-2-ylmethyl 1-phenyl-5-pyridin-3-yl-pyrazole-3-carboxylate Openeye Name: 2-pyridylmethyl 1-phenyl-5-(3-pyridyl)pyrazole-3-carboxylate CAS Name: 1-phenyl-5-(3-pyridinyl)-3-pyrazolecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 1-phenyl-5-pyridin-3-ylpyrazole-3-carboxylate Traditional Name: 1-phenyl-5-(3-pyridyl)pyrazole-3-carboxylic acid 2-pyridylmethyl ester Formula: C21H16N4O2 MolecularWeight: 356.37734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC3=CC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC3=CC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4O2/c26-21(27-15-17-8-4-5-12-23-17)19-13-20(16-7-6-11-22-14-16)25(24-19)18-9-2-1-3-10-18/h1-14H,15H2