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

Systemtic Name: methyl (E)-3-[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (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-propenoic acid methyl ester IUPAC Name: methyl (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-acrylic acid methyl ester Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C23H17N3O3/c1-28-23(27)18(13-24)11-19-15-26(14-16-7-3-2-4-8-16)25-22(19)21-12-17-9-5-6-10-20(17)29-21/h2-12,15H,14H2,1H3/b18-11+