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

Systemtic Name: (4-cyanophenyl)methyl 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate Openeye Name: (4-cyanophenyl)methyl 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid (4-cyanobenzyl) ester Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)C)Br

InChI

InChI=1S/C21H18BrN3O2/c1-14-20(22)15(2)25(24-14)12-17-7-9-19(10-8-17)21(26)27-13-18-5-3-16(11-23)4-6-18/h3-10H,12-13H2,1-2H3