N'-[(3-bromanyl-4-butoxy-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide

Systemtic Name: N'-[(3-bromanyl-4-butoxy-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Openeye Name: N'-[(3-bromo-4-butoxy-phenyl)methyleneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide CAS Name: N'-[(3-bromo-4-butoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide IUPAC Name: N'-[(3-bromo-4-butoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Traditional Name: N'-[(3-bromo-4-butoxy-benzylidene)amino]-N-[3-(trifluoromethyl)phenyl]malonamide Formula: C21H21BrF3N3O3 MolecularWeight: 500.30895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=NNC(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)Br

InChI

InChI=1S/C21H21BrF3N3O3/c1-2-3-9-31-18-8-7-14(10-17(18)22)13-26-28-20(30)12-19(29)27-16-6-4-5-15(11-16)21(23,24)25/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,27,29)(H,28,30)