N-(4-bromanyl-3-methyl-phenyl)-3-(1,3,4-trimethyl-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(1,3,4-trimethyl-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(6-keto-1,3,4-trimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propionamide Formula: C19H21BrN4O2 MolecularWeight: 417.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC2=C(C3=C(NN(C3=NC2=O)C)C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC2=C(C3=C(NN(C3=NC2=O)C)C)C)Br

InChI

InChI=1S/C19H21BrN4O2/c1-10-9-13(5-7-15(10)20)21-16(25)8-6-14-11(2)17-12(3)23-24(4)18(17)22-19(14)26/h5,7,9,23H,6,8H2,1-4H3,(H,21,25)