cyanomethyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C22H15N3O3 MolecularWeight: 369.3728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C/C(=O)OCC#N

InChI

InChI=1S/C22H15N3O3/c23-12-13-27-21(26)11-10-17-15-25(18-7-2-1-3-8-18)24-22(17)20-14-16-6-4-5-9-19(16)28-20/h1-11,14-15H,13H2/b11-10+