1-[2-(phenylmethyl)-5-(trifluoromethyl)isoindol-1-yl]pentan-1-one

Systemtic Name: 1-[2-(phenylmethyl)-5-(trifluoromethyl)isoindol-1-yl]pentan-1-one Openeye Name: 1-[2-benzyl-5-(trifluoromethyl)isoindol-1-yl]pentan-1-one CAS Name: 1-[2-(phenylmethyl)-5-(trifluoromethyl)-1-isoindolyl]-1-pentanone IUPAC Name: 1-[2-benzyl-5-(trifluoromethyl)isoindol-1-yl]pentan-1-one Traditional Name: 1-[2-benzyl-5-(trifluoromethyl)isoindol-1-yl]pentan-1-one Formula: C21H20F3NO MolecularWeight: 359.38481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C2C=CC(=CC2=CN1CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCC(=O)C1=C2C=CC(=CC2=CN1CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3NO/c1-2-3-9-19(26)20-18-11-10-17(21(22,23)24)12-16(18)14-25(20)13-15-7-5-4-6-8-15/h4-8,10-12,14H,2-3,9,13H2,1H3