2-[(4-bromophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 2-[(4-bromophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one Openeye Name: 2-[(4-bromophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one CAS Name: 2-[(4-bromophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 2-[(4-bromophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one Traditional Name: 2-(4-bromobenzyl)-4,5-dimethyl-3-pyrazolin-3-one Formula: C12H13BrN2O MolecularWeight: 281.14842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC=C(C=C2)Br)C

InChI

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