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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(4-fluorophenyl)propanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(4-fluorophenyl)malonamide Formula: C20H17BrFN3O4 MolecularWeight: 462.269083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrFN3O4/c1-3-8-29-20-16(21)9-13(10-17(20)28-2)12-23-25-19(27)11-18(26)24-15-6-4-14(22)5-7-15/h1,4-7,9-10,12H,8,11H2,2H3,(H,24,26)(H,25,27)