(phenylmethyl) 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: benzyl 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid benzyl ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

InChI

InChI=1S/C22H17N3O3/c23-11-6-12-25-14-18(22(26)27-15-16-7-2-1-3-8-16)21(24-25)20-13-17-9-4-5-10-19(17)28-20/h1-5,7-10,13-14H,6,12,15H2