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

Systemtic Name: N'-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide Openeye Name: N'-[(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]-N-(3,4-dimethylphenyl)propanediamide CAS Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide IUPAC Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide Traditional Name: N'-[(5-bromo-2-propargyloxy-benzylidene)amino]-N-(3,4-dimethylphenyl)malonamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-4-9-28-19-8-6-17(22)11-16(19)13-23-25-21(27)12-20(26)24-18-7-5-14(2)15(3)10-18/h1,5-8,10-11,13H,9,12H2,2-3H3,(H,24,26)(H,25,27)