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

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2,5-dimethoxyphenyl)benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,5-dimethoxyphenyl)benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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