butyl 4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate CAS Name: 4-[[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate Traditional Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid butyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2)C(=NN3C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2)C(=NN3C)C

InChI

InChI=1S/C20H22N4O3/c1-4-5-10-27-20(26)14-6-8-16(9-7-14)22-19(25)15-11-17-13(2)23-24(3)18(17)21-12-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,25)