[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)CCCNC(=O)C

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)CCCNC(=O)C

InChI

InChI=1S/C28H28N4O4/c1-3-32-27-24(17-30-32)23(16-25(31-27)21-9-5-4-6-10-21)28(35)36-18-26(34)22-13-11-20(12-14-22)8-7-15-29-19(2)33/h4-6,9-14,16-17H,3,7-8,15,18H2,1-2H3,(H,29,33)