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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-phenyl-propanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-phenyl-propanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenylpropanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenylpropanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-phenyl-malonamide Formula: C20H18BrN3O4 MolecularWeight: 444.27862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-3-9-28-20-16(21)10-14(11-17(20)27-2)13-22-24-19(26)12-18(25)23-15-7-5-4-6-8-15/h1,4-8,10-11,13H,9,12H2,2H3,(H,23,25)(H,24,26)