(3E)-3-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylhydrazinylidene]-N-phenethyl-butanamide

Systemtic Name: (3E)-3-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylhydrazinylidene]-N-phenethyl-butanamide Openeye Name: (3E)-3-[[2-(4-bromo-3-methyl-phenoxy)acetyl]hydrazono]-N-phenethyl-butanamide CAS Name: (3E)-3-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazinylidene]-N-phenethylbutanamide IUPAC Name: (3E)-3-[[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinylidene]-N-phenethylbutanamide Traditional Name: (3E)-3-[[2-(4-bromo-3-methyl-phenoxy)acetyl]hydrazono]-N-phenethyl-butyramide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NN=C(C)CC(=O)NCCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N/N=C(\C)/CC(=O)NCCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H24BrN3O3/c1-15-12-18(8-9-19(15)22)28-14-21(27)25-24-16(2)13-20(26)23-11-10-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,26)(H,25,27)/b24-16+