(4-oxidanylidene-4-phenyl-butyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (4-keto-4-phenyl-butyl) ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCCCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCCCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O3/c1-13-16-11-15(12-20-18(16)22(2)21-13)19(24)25-10-6-9-17(23)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3