(E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-benzoyl-prop-2-enenitrile CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-benzoyl-2-propenenitrile IUPAC Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-benzoylprop-2-enenitrile Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-benzoyl-acrylonitrile Formula: C27H17N3O2 MolecularWeight: 415.44278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C27H17N3O2/c28-17-21(27(31)19-9-3-1-4-10-19)15-22-18-30(23-12-5-2-6-13-23)29-26(22)25-16-20-11-7-8-14-24(20)32-25/h1-16,18H/b21-15+