(4E)-4-[(3-bromanyl-4-cyclopentyloxy-5-ethoxy-phenyl)methylidene]-2-(3-bromophenyl)-5-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3-bromanyl-4-cyclopentyloxy-5-ethoxy-phenyl)methylidene]-2-(3-bromophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-bromo-4-(cyclopentoxy)-5-ethoxy-phenyl]methylene]-2-(3-bromophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylidene]-2-(3-bromophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylidene]-2-(3-bromophenyl)-5-phenylpyrazol-3-one Traditional Name: (4E)-4-[3-bromo-4-(cyclopentoxy)-5-ethoxy-benzylidene]-2-(3-bromophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C29H26Br2N2O3 MolecularWeight: 610.33634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4)Br)OC5CCCC5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4)Br)OC5CCCC5

InChI

InChI=1S/C29H26Br2N2O3/c1-2-35-26-17-19(16-25(31)28(26)36-23-13-6-7-14-23)15-24-27(20-9-4-3-5-10-20)32-33(29(24)34)22-12-8-11-21(30)18-22/h3-5,8-12,15-18,23H,2,6-7,13-14H2,1H3/b24-15+