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

Systemtic Name: N'-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-methylphenyl)propanediamide Openeye Name: N'-[(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]-N-(p-tolyl)propanediamide CAS Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide IUPAC Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide Traditional Name: N'-[(5-bromo-2-propargyloxy-benzylidene)amino]-N-(p-tolyl)malonamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=C(C=CC(=C2)Br)OCC#C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=C(C=CC(=C2)Br)OCC#C

InChI

InChI=1S/C20H18BrN3O3/c1-3-10-27-18-9-6-16(21)11-15(18)13-22-24-20(26)12-19(25)23-17-7-4-14(2)5-8-17/h1,4-9,11,13H,10,12H2,2H3,(H,23,25)(H,24,26)