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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H15N3O3/c1-27-22(26)16(13-23)11-17-14-25(18-8-3-2-4-9-18)24-21(17)20-12-15-7-5-6-10-19(15)28-20/h2-12,14H,1H3/b16-11+