(4E)-2-(4-bromophenyl)-5-phenyl-4-(phenylazanylmethylidene)pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-5-phenyl-4-(phenylazanylmethylidene)pyrazol-3-one Openeye Name: (4E)-4-(anilinomethylene)-2-(4-bromophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4E)-4-(anilinomethylidene)-2-(4-bromophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4E)-4-(anilinomethylidene)-2-(4-bromophenyl)-5-phenylpyrazol-3-one Traditional Name: (4E)-4-(anilinomethylene)-2-(4-bromophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C22H16BrN3O MolecularWeight: 418.28594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O/c23-17-11-13-19(14-12-17)26-22(27)20(15-24-18-9-5-2-6-10-18)21(25-26)16-7-3-1-4-8-16/h1-15,24H/b20-15+