2-bromanyl-5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

Systemtic Name: 2-bromanyl-5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide Openeye Name: 2-bromo-5-(2-fluoro-4-iodo-anilino)-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide CAS Name: 2-bromo-5-(2-fluoro-4-iodoanilino)-N-[3-(1-imidazolyl)propyl]-4-pyridinecarboxamide IUPAC Name: 2-bromo-5-(2-fluoro-4-iodoanilino)-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide Traditional Name: 2-bromo-5-(2-fluoro-4-iodo-anilino)-N-(3-imidazol-1-ylpropyl)isonicotinamide Formula: C18H16BrFIN5O MolecularWeight: 544.159413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)F)NC2=CN=C(C=C2C(=O)NCCCN3C=CN=C3)Br

Isomeric SMILES

C1=CC(=C(C=C1I)F)NC2=CN=C(C=C2C(=O)NCCCN3C=CN=C3)Br

InChI

InChI=1S/C18H16BrFIN5O/c19-17-9-13(18(27)23-4-1-6-26-7-5-22-11-26)16(10-24-17)25-15-3-2-12(21)8-14(15)20/h2-3,5,7-11,25H,1,4,6H2,(H,23,27)