ethyl 1-phenyl-5-(2-phenylethynyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-phenyl-5-(2-phenylethynyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-phenyl-5-(2-phenylethynyl)pyrazole-3-carboxylate CAS Name: 1-phenyl-5-(2-phenylethynyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-(2-phenylethynyl)pyrazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-phenylethynyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C#CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C#CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O2/c1-2-24-20(23)19-15-18(14-13-16-9-5-3-6-10-16)22(21-19)17-11-7-4-8-12-17/h3-12,15H,2H2,1H3