(4E)-4-[[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-bromo-5-methoxy-4-(2-pyridinylmethoxy)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=N3)OC)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=N3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3O3/c1-16-20(24(29)28(27-16)19-9-4-3-5-10-19)12-17-13-21(25)23(22(14-17)30-2)31-15-18-8-6-7-11-26-18/h3-14H,15H2,1-2H3/b20-12+