2-[1-bromanyl-6-(5-chloranyl-3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyethanenitrile

Systemtic Name: 2-[1-bromanyl-6-(5-chloranyl-3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[1-bromo-6-(5-chloro-3-pentanoyl-benzofuran-2-yl)-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[1-bromo-6-[5-chloro-3-(1-oxopentyl)-2-benzofuranyl]-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[1-bromo-6-(5-chloro-3-pentanoyl-1-benzofuran-2-yl)naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[1-bromo-6-(5-chloro-3-valeryl-benzofuran-2-yl)-2-naphthoxy]acetonitrile Formula: C25H19BrClNO3 MolecularWeight: 496.78026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(OC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)Br

Isomeric SMILES

CCCCC(=O)C1=C(OC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)Br

InChI

InChI=1S/C25H19BrClNO3/c1-2-3-4-20(29)23-19-14-17(27)7-10-21(19)31-25(23)16-5-8-18-15(13-16)6-9-22(24(18)26)30-12-11-28/h5-10,13-14H,2-4,12H2,1H3