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

Systemtic Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C27H22N6O2 MolecularWeight: 462.50258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)C(=O)NCCCN5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C(\C#N)/C(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C27H22N6O2/c28-17-21(27(34)30-11-6-13-32-14-12-29-19-32)15-22-18-33(23-8-2-1-3-9-23)31-26(22)25-16-20-7-4-5-10-24(20)35-25/h1-5,7-10,12,14-16,18-19H,6,11,13H2,(H,30,34)/b21-15+