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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(2-methoxyphenyl)propanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(2-methoxyphenyl)malonamide Formula: C21H20BrN3O5 MolecularWeight: 474.3046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC#C)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC#C)OC

InChI

InChI=1S/C21H20BrN3O5/c1-4-9-30-21-15(22)10-14(11-18(21)29-3)13-23-25-20(27)12-19(26)24-16-7-5-6-8-17(16)28-2/h1,5-8,10-11,13H,9,12H2,2-3H3,(H,24,26)(H,25,27)