(2Z)-5-bromanyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-5-bromanyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-bromo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-bromo-2-[(3-mesityl-1-phenyl-pyrazol-4-yl)methylene]coumaran-3-one Formula: C27H21BrN2O2 MolecularWeight: 485.37184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21BrN2O2/c1-16-11-17(2)25(18(3)12-16)26-19(15-30(29-26)21-7-5-4-6-8-21)13-24-27(31)22-14-20(28)9-10-23(22)32-24/h4-15H,1-3H3/b24-13-