1-[(2-chlorophenyl)methyl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-methyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-methyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-methyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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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=C4Cl

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4Cl

InChI

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