1-(2-azanylethyl)-1-[[3-bromanyl-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(2-azanylethyl)-1-[[3-bromanyl-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(2-aminoethyl)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(2-aminoethyl)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(2-aminoethyl)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(2-aminoethyl)-1-[[3-bromo-5-(trifluoromethyl)benzyl]oxymethyl]phthalan-5-carbonitrile Formula: C20H18BrF3N2O2 MolecularWeight: 455.26833

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN)COCC3=CC(=CC(=C3)Br)C(F)(F)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN)COCC3=CC(=CC(=C3)Br)C(F)(F)F

InChI

InChI=1S/C20H18BrF3N2O2/c21-17-7-14(6-16(8-17)20(22,23)24)10-27-12-19(3-4-25)18-2-1-13(9-26)5-15(18)11-28-19/h1-2,5-8H,3-4,10-12,25H2