(3E)-N-(1-adamantyl)-3-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylhydrazinylidene]butanamide

Systemtic Name: (3E)-N-(1-adamantyl)-3-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylhydrazinylidene]butanamide Openeye Name: (3E)-N-(1-adamantyl)-3-[[2-(2-bromo-4-chloro-phenoxy)acetyl]hydrazono]butanamide CAS Name: (3E)-N-(1-adamantyl)-3-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]hydrazinylidene]butanamide IUPAC Name: (3E)-N-(1-adamantyl)-3-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]butanamide Traditional Name: (3E)-N-(1-adamantyl)-3-[[2-(2-bromo-4-chloro-phenoxy)acetyl]hydrazono]butyramide Formula: C22H27BrClN3O3 MolecularWeight: 496.82508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)COC1=C(C=C(C=C1)Cl)Br)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N\NC(=O)COC1=C(C=C(C=C1)Cl)Br)/CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27BrClN3O3/c1-13(26-27-21(29)12-30-19-3-2-17(24)8-18(19)23)4-20(28)25-22-9-14-5-15(10-22)7-16(6-14)11-22/h2-3,8,14-16H,4-7,9-12H2,1H3,(H,25,28)(H,27,29)/b26-13+