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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-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 [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 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-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O3/c1-3-28-22-20(16-25-28)19(15-21(26-22)18-11-7-6-8-12-18)24(30)31-17(2)23(29)27-13-9-4-5-10-14-27/h6-8,11-12,15-17H,3-5,9-10,13-14H2,1-2H3