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

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-ethanoylphenyl)benzamide Openeye Name: N-(4-acetylphenyl)-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: N-(4-acetylphenyl)-3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4-acetylphenyl)-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-acetylphenyl)-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)C)C)Br

InChI

InChI=1S/C21H20BrN3O2/c1-13-20(22)14(2)25(24-13)12-16-5-4-6-18(11-16)21(27)23-19-9-7-17(8-10-19)15(3)26/h4-11H,12H2,1-3H3,(H,23,27)