N-(4-bromanyl-2-fluoranyl-phenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-7-(3-nitrophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C19H11BrFN5O3 MolecularWeight: 456.224743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NC3=C(C=NN23)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NC3=C(C=NN23)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C19H11BrFN5O3/c20-12-4-5-16(15(21)9-12)24-19(27)14-10-23-25-17(6-7-22-18(14)25)11-2-1-3-13(8-11)26(28)29/h1-10H,(H,24,27)