N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-[3-(trifluoromethyl)phenyl]malonamide Formula: C21H17BrF3N3O4 MolecularWeight: 512.27659

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NNC(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)Br)OCC#C

InChI

InChI=1S/C21H17BrF3N3O4/c1-3-7-32-20-16(22)8-13(9-17(20)31-2)12-26-28-19(30)11-18(29)27-15-6-4-5-14(10-15)21(23,24)25/h1,4-6,8-10,12H,7,11H2,2H3,(H,27,29)(H,28,30)