(E)-3-[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: (E)-3-[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: (E)-3-[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-2-propenoate IUPAC Name: (E)-3-[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]-2-cyano-acrylate Formula: C22H14N3O3- MolecularWeight: 368.36486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C22H15N3O3/c23-12-17(22(26)27)10-18-14-25(13-15-6-2-1-3-7-15)24-21(18)20-11-16-8-4-5-9-19(16)28-20/h1-11,14H,13H2,(H,26,27)/p-1/b17-10+