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

Systemtic Name: (2Z)-5-bromanyl-2-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-bromo-2-[[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-bromo-2-[[3-(2-methylcoumaran-5-yl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-3-one Formula: C27H19BrN2O3 MolecularWeight: 499.35536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)C5=C(O4)C=CC(=C5)Br)C6=CC=CC=C6

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C\4/C(=O)C5=C(O4)C=CC(=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C27H19BrN2O3/c1-16-11-18-12-17(7-9-23(18)32-16)26-19(15-30(29-26)21-5-3-2-4-6-21)13-25-27(31)22-14-20(28)8-10-24(22)33-25/h2-10,12-16H,11H2,1H3/b25-13-