N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)-2-benzofuran-1-yl]propan-1-amine hydrochloride

Systemtic Name: N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)-2-benzofuran-1-yl]propan-1-amine hydrochloride Openeye Name: N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)isobenzofuran-1-yl]propan-1-amine hydrochloride CAS Name: N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)-1-isobenzofuranyl]-1-propanamine hydrochloride IUPAC Name: N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)-2-benzofuran-1-yl]propan-1-amine hydrochloride Traditional Name: dimethyl-[3-[1-phenyl-3,3-bis(trifluoromethyl)phthalan-1-yl]propyl]amine hydrochloride Formula: C21H22ClF6NO MolecularWeight: 453.848899

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F)C3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CCCC1(C2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H21F6NO.ClH/c1-28(2)14-8-13-18(15-9-4-3-5-10-15)16-11-6-7-12-17(16)19(29-18,20(22,23)24)21(25,26)27;/h3-7,9-12H,8,13-14H2,1-2H3;1H