3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2,4-dimethylphenyl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C)C

InChI

InChI=1S/C21H22BrN3O/c1-13-8-9-19(14(2)10-13)23-21(26)18-7-5-6-17(11-18)12-25-16(4)20(22)15(3)24-25/h5-11H,12H2,1-4H3,(H,23,26)