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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1-[(3-chlorophenyl)methyl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(3-chlorophenyl)methyl]-3-methyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1-[(3-chlorophenyl)methyl]-3-methyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(3-chlorobenzyl)-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C21H15ClN3O2- MolecularWeight: 376.8157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)[O-])CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)[O-])CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3O2/c1-13-19-17(21(26)27)11-18(15-7-3-2-4-8-15)23-20(19)25(24-13)12-14-6-5-9-16(22)10-14/h2-11H,12H2,1H3,(H,26,27)/p-1