2-(3-bromophenyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: 2-(3-bromophenyl)-5-propyl-4H-pyrazol-3-one Openeye Name: 2-(3-bromophenyl)-5-propyl-4H-pyrazol-3-one CAS Name: 2-(3-bromophenyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-(3-bromophenyl)-5-propyl-4H-pyrazol-3-one Traditional Name: 2-(3-bromophenyl)-5-propyl-2-pyrazolin-3-one Formula: C12H13BrN2O MolecularWeight: 281.14842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H13BrN2O/c1-2-4-10-8-12(16)15(14-10)11-6-3-5-9(13)7-11/h3,5-7H,2,4,8H2,1H3