(4E)-4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[(2-bromo-4,5-dimethoxy-phenyl)methylene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-4-(2-bromo-4,5-dimethoxy-benzylidene)-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O3/c1-4-8-18-16(21(25)24(23-18)15-9-6-5-7-10-15)11-14-12-19(26-2)20(27-3)13-17(14)22/h5-7,9-13H,4,8H2,1-3H3/b16-11+