butyl 4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(1-isopropylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate Traditional Name: 4-[(1-isopropylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid butyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-4-5-10-28-21(27)15-6-8-18(9-7-15)24-20(26)17-11-16-13-23-25(14(2)3)19(16)22-12-17/h6-9,11-14H,4-5,10H2,1-3H3,(H,24,26)