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

Systemtic Name: ethyl 3-(4-bromophenyl)-1,6-diphenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-1,6-diphenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-(4-bromophenyl)-1,6-diphenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-1,6-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1,6-diphenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C27H20BrN3O2 MolecularWeight: 498.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C1)C(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C1)C(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H20BrN3O2/c1-2-33-27(32)23-17-22-25(19-13-15-20(28)16-14-19)30-31(21-11-7-4-8-12-21)26(22)29-24(23)18-9-5-3-6-10-18/h3-17H,2H2,1H3