1-[5-[(4-bromophenyl)methyl]-1-butyl-3-methyl-pyrazol-4-yl]ethanone

Systemtic Name: 1-[5-[(4-bromophenyl)methyl]-1-butyl-3-methyl-pyrazol-4-yl]ethanone Openeye Name: 1-[5-[(4-bromophenyl)methyl]-1-butyl-3-methyl-pyrazol-4-yl]ethanone CAS Name: 1-[5-[(4-bromophenyl)methyl]-1-butyl-3-methyl-4-pyrazolyl]ethanone IUPAC Name: 1-[5-[(4-bromophenyl)methyl]-1-butyl-3-methylpyrazol-4-yl]ethanone Traditional Name: 1-[5-(4-bromobenzyl)-1-butyl-3-methyl-pyrazol-4-yl]ethanone Formula: C17H21BrN2O MolecularWeight: 349.26544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O/c1-4-5-10-20-16(17(13(3)21)12(2)19-20)11-14-6-8-15(18)9-7-14/h6-9H,4-5,10-11H2,1-3H3