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

Systemtic Name: propan-2-yl (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C24H19N3O3 MolecularWeight: 397.42596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O3/c1-16(2)29-24(28)18(14-25)12-19-15-27(20-9-4-3-5-10-20)26-23(19)22-13-17-8-6-7-11-21(17)30-22/h3-13,15-16H,1-2H3/b18-12+