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

Systemtic Name: N'-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Openeye Name: N'-[(3-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide CAS Name: N'-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide IUPAC Name: N'-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Traditional Name: N'-[(3-methoxy-4-propargyloxy-benzylidene)amino]-N-[3-(trifluoromethyl)phenyl]malonamide Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O4/c1-3-9-31-17-8-7-14(10-18(17)30-2)13-25-27-20(29)12-19(28)26-16-6-4-5-15(11-16)21(22,23)24/h1,4-8,10-11,13H,9,12H2,2H3,(H,26,28)(H,27,29)