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

Systemtic Name: phenyl 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: phenyl 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid phenyl ester Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3/c22-11-6-12-24-14-17(21(25)26-16-8-2-1-3-9-16)20(23-24)19-13-15-7-4-5-10-18(15)27-19/h1-5,7-10,13-14H,6,12H2