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

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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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)OC)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2/c1-13-19(21)14(2)24(23-13)12-15-4-6-16(7-5-15)20(25)22-17-8-10-18(26-3)11-9-17/h4-11H,12H2,1-3H3,(H,22,25)