3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Formula: C13H14BrN3O MolecularWeight: 308.17376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N)C)Br

InChI

InChI=1S/C13H14BrN3O/c1-8-12(14)9(2)17(16-8)7-10-4-3-5-11(6-10)13(15)18/h3-6H,7H2,1-2H3,(H2,15,18)