2-(3-bromanylphenoxy)ethyl 3-methyl-1-(4-methylphenyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 3-methyl-1-(4-methylphenyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 3-methyl-6-phenyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 3-methyl-1-(4-methylphenyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-phenyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C29H24BrN3O3 MolecularWeight: 542.42316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CC=C4)C(=O)OCCOC5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CC=C4)C(=O)OCCOC5=CC(=CC=C5)Br

InChI

InChI=1S/C29H24BrN3O3/c1-19-11-13-23(14-12-19)33-28-27(20(2)32-33)25(18-26(31-28)21-7-4-3-5-8-21)29(34)36-16-15-35-24-10-6-9-22(30)17-24/h3-14,17-18H,15-16H2,1-2H3