ethyl 4-cyano-5-(3-methyl-1-benzofuran-2-yl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-cyano-5-(3-methyl-1-benzofuran-2-yl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-cyano-5-(3-methylbenzofuran-2-yl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-cyano-5-(3-methyl-2-benzofuranyl)-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(3-methyl-1-benzofuran-2-yl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-cyano-5-(3-methylbenzofuran-2-yl)-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C#N)C2=C(C3=CC=CC=C3O2)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C#N)C2=C(C3=CC=CC=C3O2)C)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3/c1-3-27-22(26)19-17(13-23)20(25(24-19)15-9-5-4-6-10-15)21-14(2)16-11-7-8-12-18(16)28-21/h4-12H,3H2,1-2H3