N-(5-bromanylquinolin-8-yl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C20H13BrFN5O4 MolecularWeight: 486.250723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])Br

InChI

InChI=1S/C20H13BrFN5O4/c21-14-4-5-15(19-13(14)2-1-8-23-19)24-20(28)16-7-9-26(25-16)11-31-18-10-12(22)3-6-17(18)27(29)30/h1-10H,11H2,(H,24,28)