2-(4-bromanylphenoxy)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(4-bromophenoxy)acetamide CAS Name: 2-(4-bromophenoxy)-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(4-bromophenoxy)acetamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-15-20(16(2)25(24-15)13-17-6-4-3-5-7-17)12-23-21(26)14-27-19-10-8-18(22)9-11-19/h3-11H,12-14H2,1-2H3,(H,23,26)