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

Systemtic Name: (4E)-4-[[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-4-[5-bromo-2-(2-fluorobenzyl)oxy-benzylidene]-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C26H22BrFN2O2 MolecularWeight: 493.367483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrFN2O2/c1-2-8-24-22(26(31)30(29-24)21-10-4-3-5-11-21)16-19-15-20(27)13-14-25(19)32-17-18-9-6-7-12-23(18)28/h3-7,9-16H,2,8,17H2,1H3/b22-16+