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

Systemtic Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-butyl-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-butyl-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-N-butyl-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-butyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-butyl-2-cyano-acrylamide Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O2/c1-2-3-13-27-25(30)19(16-26)14-20-17-29(21-10-5-4-6-11-21)28-24(20)23-15-18-9-7-8-12-22(18)31-23/h4-12,14-15,17H,2-3,13H2,1H3,(H,27,30)/b19-14+