N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-dimethyl-6-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-dimethyl-6-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-6-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dimethyl-6-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-6-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H24BrN5O2 MolecularWeight: 458.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=NC3=C2C(=NN3C)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=NC3=C2C(=NN3C)C)C(C)C

InChI

InChI=1S/C21H24BrN5O2/c1-11(2)17-9-15(19-13(4)26-27(5)20(19)25-17)21(29)23-10-18(28)24-16-7-6-14(22)8-12(16)3/h6-9,11H,10H2,1-5H3,(H,23,29)(H,24,28)