(4-bromophenyl)methyl 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-bromophenyl)methyl 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-3,6-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (4-bromobenzyl) ester Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O2/c1-4-22-17-16(12(3)21-22)15(9-11(2)20-17)18(23)24-10-13-5-7-14(19)8-6-13/h5-9H,4,10H2,1-3H3