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

Systemtic Name: N-(4-acetamidophenyl)-4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(4-acetamidophenyl)-4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: N-(4-acetamidophenyl)-4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4-acetamidophenyl)-4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-acetamidophenyl)-4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O2/c1-13-20(22)14(2)26(25-13)12-16-4-6-17(7-5-16)21(28)24-19-10-8-18(9-11-19)23-15(3)27/h4-11H,12H2,1-3H3,(H,23,27)(H,24,28)