1-(2-dimethylaminoethyl)-1-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(2-dimethylaminoethyl)-1-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(2-dimethylaminoethyl)-1-[[3-(4-pyridyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(2-dimethylaminoethyl)-1-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(2-dimethylaminoethyl)-1-[[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(2-dimethylaminoethyl)-1-[[3-(4-pyridyl)-5-(trifluoromethyl)benzyl]oxymethyl]phthalan-5-carbonitrile Formula: C27H26F3N3O2 MolecularWeight: 481.50945

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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)C4=CC=NC=C4)C(F)(F)F

Isomeric SMILES

CN(C)CCC1(C2=C(CO1)C=C(C=C2)C#N)COCC3=CC(=CC(=C3)C4=CC=NC=C4)C(F)(F)F

InChI

InChI=1S/C27H26F3N3O2/c1-33(2)10-7-26(25-4-3-19(15-31)11-23(25)17-35-26)18-34-16-20-12-22(21-5-8-32-9-6-21)14-24(13-20)27(28,29)30/h3-6,8-9,11-14H,7,10,16-18H2,1-2H3