(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[3-(7-methoxy-2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H24N6O3 MolecularWeight: 492.52856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3/C=C(\C#N)/C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N6O3/c1-36-24-10-5-7-20-16-25(37-27(20)24)26-22(18-34(32-26)23-8-3-2-4-9-23)15-21(17-29)28(35)31-11-6-13-33-14-12-30-19-33/h2-5,7-10,12,14-16,18-19H,6,11,13H2,1H3,(H,31,35)/b21-15+