3-(3-methoxyphenyl)-1-methyl-3-[3,3,3-tris(fluoranyl)propyl]azepan-2-one

Systemtic Name: 3-(3-methoxyphenyl)-1-methyl-3-[3,3,3-tris(fluoranyl)propyl]azepan-2-one Openeye Name: 3-(3-methoxyphenyl)-1-methyl-3-(3,3,3-trifluoropropyl)azepan-2-one CAS Name: 3-(3-methoxyphenyl)-1-methyl-3-(3,3,3-trifluoropropyl)-2-azepanone IUPAC Name: 3-(3-methoxyphenyl)-1-methyl-3-(3,3,3-trifluoropropyl)azepan-2-one Traditional Name: 3-(3-methoxyphenyl)-1-methyl-3-(3,3,3-trifluoropropyl)azepan-2-one Formula: C17H22F3NO2 MolecularWeight: 329.35729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)(CCC(F)(F)F)C2=CC(=CC=C2)OC

Isomeric SMILES

CN1CCCCC(C1=O)(CCC(F)(F)F)C2=CC(=CC=C2)OC

InChI

InChI=1S/C17H22F3NO2/c1-21-11-4-3-8-16(15(21)22,9-10-17(18,19)20)13-6-5-7-14(12-13)23-2/h5-7,12H,3-4,8-11H2,1-2H3