4-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]benzenecarbonitrile

Systemtic Name: 4-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]benzenecarbonitrile Openeye Name: 4-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)-3H-isobenzofuran-1-yl]benzonitrile CAS Name: 4-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)-3H-isobenzofuran-1-yl]benzonitrile IUPAC Name: 4-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]benzonitrile Traditional Name: 4-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phthalan-1-yl]benzonitrile Formula: C21H21F3N2O MolecularWeight: 374.39945

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21F3N2O/c1-26(2)11-3-10-20(17-6-4-15(13-25)5-7-17)19-9-8-18(21(22,23)24)12-16(19)14-27-20/h4-9,12H,3,10-11,14H2,1-2H3