4-[[(3,4-dimethylphenyl)amino]methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: 4-[[(3,4-dimethylphenyl)amino]methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-[(3,4-dimethylanilino)methylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[(3,4-dimethylanilino)methylidene]-2-(4-fluorophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[(3,4-dimethylanilino)methylidene]-2-(4-fluorophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[(3,4-dimethylanilino)methylene]-2-(4-fluorophenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H22FN3O MolecularWeight: 351.417283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O/c1-4-5-20-19(13-23-17-9-6-14(2)15(3)12-17)21(26)25(24-20)18-10-7-16(22)8-11-18/h6-13,23H,4-5H2,1-3H3