N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C22H16BrFN4O MolecularWeight: 451.291043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCC4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCC4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C22H16BrFN4O/c23-17-8-9-20(24)16(11-17)13-26-22(29)19-14-28(18-6-2-1-3-7-18)27-21(19)15-5-4-10-25-12-15/h1-12,14H,13H2,(H,26,29)