2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O2/c1-25(2,3)24(29)18(15-26)13-19-16-28(20-10-5-4-6-11-20)27-23(19)22-14-17-9-7-8-12-21(17)30-22/h4-14,16H,1-3H3