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

Systemtic Name: 1-[[3-bromanyl-5-(trifluoromethyl)phenyl]methoxymethyl]-1-(2-dimethylaminoethyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-1-(2-dimethylaminoethyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-1-(2-dimethylaminoethyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-1-(2-dimethylaminoethyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[[3-bromo-5-(trifluoromethyl)benzyl]oxymethyl]-1-(2-dimethylaminoethyl)phthalan-5-carbonitrile Formula: C22H22BrF3N2O2 MolecularWeight: 483.32149

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1(C2=C(CO1)C=C(C=C2)C#N)COCC3=CC(=CC(=C3)Br)C(F)(F)F

Isomeric SMILES

CN(C)CCC1(C2=C(CO1)C=C(C=C2)C#N)COCC3=CC(=CC(=C3)Br)C(F)(F)F

InChI

InChI=1S/C22H22BrF3N2O2/c1-28(2)6-5-21(20-4-3-15(11-27)7-17(20)13-30-21)14-29-12-16-8-18(22(24,25)26)10-19(23)9-16/h3-4,7-10H,5-6,12-14H2,1-2H3