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

Systemtic Name: N'-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide Openeye Name: N'-[(3-bromo-4-butoxy-5-methoxy-phenyl)methyleneamino]-N-(4-fluorophenyl)propanediamide CAS Name: N'-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide IUPAC Name: N'-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide Traditional Name: N'-[(3-bromo-4-butoxy-5-methoxy-benzylidene)amino]-N-(4-fluorophenyl)malonamide Formula: C21H23BrFN3O4 MolecularWeight: 480.327423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C=NNC(=O)CC(=O)NC2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C=NNC(=O)CC(=O)NC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C21H23BrFN3O4/c1-3-4-9-30-21-17(22)10-14(11-18(21)29-2)13-24-26-20(28)12-19(27)25-16-7-5-15(23)6-8-16/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,25,27)(H,26,28)