3-cyclopropyl-1-(2-methylpropyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 3-cyclopropyl-1-(2-methylpropyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 3-cyclopropyl-1-isobutyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-cyclopropyl-1-(2-methylpropyl)-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 3-cyclopropyl-1-(2-methylpropyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-cyclopropyl-1-isobutyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C20H20N3O2- MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(=O)[O-])C(=N1)C4CC4

Isomeric SMILES

CC(C)CN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(=O)[O-])C(=N1)C4CC4

InChI

InChI=1S/C20H21N3O2/c1-12(2)11-23-19-17(18(22-23)14-8-9-14)15(20(24)25)10-16(21-19)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,24,25)/p-1