6-acetamido-3-(4-bromophenyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 6-acetamido-3-(4-bromophenyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 6-acetamido-3-(4-bromophenyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 6-acetamido-3-(4-bromophenyl)-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 6-acetamido-3-(4-bromophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 6-acetamido-3-(4-bromophenyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H16BrN5O2 MolecularWeight: 450.28804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)N

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C21H16BrN5O2/c1-12(28)24-20-17(19(23)29)11-16-18(13-7-9-14(22)10-8-13)26-27(21(16)25-20)15-5-3-2-4-6-15/h2-11H,1H3,(H2,23,29)(H,24,25,28)