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

Systemtic Name: (4-cyanophenyl)methyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid (4-cyanobenzyl) ester Formula: C28H19N3O3 MolecularWeight: 445.46876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H19N3O3/c29-17-20-10-12-21(13-11-20)19-33-27(32)15-14-23-18-31(24-7-2-1-3-8-24)30-28(23)26-16-22-6-4-5-9-25(22)34-26/h1-16,18H,19H2