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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC=CC=C2Br

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC=CC=C2Br

InChI

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