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

Systemtic Name: methyl 6-(3-bromophenyl)-1-butyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 6-(3-bromophenyl)-1-butyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(3-bromophenyl)-1-butyl-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(3-bromophenyl)-1-butyl-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(3-bromophenyl)-1-butyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C19H20BrN3O2 MolecularWeight: 402.285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C19H20BrN3O2/c1-4-5-9-23-18-17(12(2)22-23)15(19(24)25-3)11-16(21-18)13-7-6-8-14(20)10-13/h6-8,10-11H,4-5,9H2,1-3H3