methyl 3-(4-bromophenyl)-6-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: methyl 3-(4-bromophenyl)-6-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 3-(4-bromophenyl)-6-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-(4-bromophenyl)-6-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-(4-bromophenyl)-6-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C21H16BrN3O2/c1-13-17(21(26)27-2)12-18-19(14-8-10-15(22)11-9-14)24-25(20(18)23-13)16-6-4-3-5-7-16/h3-12H,1-2H3