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

Systemtic Name: 4-bromanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,5-dimethoxy-benzamide Openeye Name: 4-bromo-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,5-dimethoxy-benzamide CAS Name: 4-bromo-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3,5-dimethoxybenzamide IUPAC Name: 4-bromo-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxybenzamide Traditional Name: 4-bromo-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,5-dimethoxy-benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C21H22BrN3O3/c1-13-17(14(2)25(24-13)16-8-6-5-7-9-16)12-23-21(26)15-10-18(27-3)20(22)19(11-15)28-4/h5-11H,12H2,1-4H3,(H,23,26)