(2Z)-2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-coumaran-3-one Formula: C25H17BrN2O2 MolecularWeight: 457.31868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C25H17BrN2O2/c1-16-7-12-22-21(13-16)25(29)23(30-22)14-18-15-28(20-5-3-2-4-6-20)27-24(18)17-8-10-19(26)11-9-17/h2-15H,1H3/b23-14-