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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S/c1-18-24-20(26(32)33-17-23(31)29-13-7-2-3-8-14-29)16-21(22-12-9-15-34-22)27-25(24)30(28-18)19-10-5-4-6-11-19/h4-6,9-12,15-16H,2-3,7-8,13-14,17H2,1H3