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

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-cyanophenyl)benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-cyanophenyl)benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-cyanophenyl)benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-cyanophenyl)benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-cyanophenyl)benzamide Formula: C20H17BrN4O MolecularWeight: 409.27918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O/c1-13-19(21)14(2)25(24-13)12-16-3-7-17(8-4-16)20(26)23-18-9-5-15(11-22)6-10-18/h3-10H,12H2,1-2H3,(H,23,26)