N-[5-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-2-fluoranyl-phenyl]-2-methyl-furan-3-carboxamide

Systemtic Name: N-[5-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-2-fluoranyl-phenyl]-2-methyl-furan-3-carboxamide Openeye Name: N-[5-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-2-fluoro-phenyl]-2-methyl-furan-3-carboxamide CAS Name: N-[5-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-2-fluorophenyl]-2-methyl-3-furancarboxamide IUPAC Name: N-[5-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide Traditional Name: N-[5-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-2-fluoro-phenyl]-2-methyl-3-furamide Formula: C22H20BrFN2O4 MolecularWeight: 475.307603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCC3=CC(=C(C=C3)OC)Br)F

Isomeric SMILES

CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCC3=CC(=C(C=C3)OC)Br)F

InChI

InChI=1S/C22H20BrFN2O4/c1-13-16(9-10-30-13)22(28)26-19-12-15(5-6-18(19)24)25-21(27)8-4-14-3-7-20(29-2)17(23)11-14/h3,5-7,9-12H,4,8H2,1-2H3,(H,25,27)(H,26,28)