[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1,6-diphenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4/c1-18-25-22(27(33)35-17-24(32)28-16-21-13-8-14-34-21)15-23(19-9-4-2-5-10-19)29-26(25)31(30-18)20-11-6-3-7-12-20/h2-15H,16-17H2,1H3,(H,28,32)