N'-[(3-bromanyl-4-butoxy-5-ethoxy-phenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide

Systemtic Name: N'-[(3-bromanyl-4-butoxy-5-ethoxy-phenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide Openeye Name: N'-[(3-bromo-4-butoxy-5-ethoxy-phenyl)methyleneamino]-N-(2-fluorophenyl)propanediamide CAS Name: N'-[(3-bromo-4-butoxy-5-ethoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide IUPAC Name: N'-[(3-bromo-4-butoxy-5-ethoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide Traditional Name: N'-[(3-bromo-4-butoxy-5-ethoxy-benzylidene)amino]-N-(2-fluorophenyl)malonamide Formula: C22H25BrFN3O4 MolecularWeight: 494.354003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C=NNC(=O)CC(=O)NC2=CC=CC=C2F)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C=NNC(=O)CC(=O)NC2=CC=CC=C2F)OCC

InChI

InChI=1S/C22H25BrFN3O4/c1-3-5-10-31-22-16(23)11-15(12-19(22)30-4-2)14-25-27-21(29)13-20(28)26-18-9-7-6-8-17(18)24/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H,26,28)(H,27,29)