2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-fluorophenyl)piperazin-2-yl]ethanone

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-fluorophenyl)piperazin-2-yl]ethanone Openeye Name: 2-(6-bromoisochroman-1-yl)-1-[1-(4-fluorophenyl)piperazin-2-yl]ethanone CAS Name: 2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)-1-[1-(4-fluorophenyl)-2-piperazinyl]ethanone IUPAC Name: 2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-fluorophenyl)piperazin-2-yl]ethanone Traditional Name: 2-(6-bromoisochroman-1-yl)-1-[1-(4-fluorophenyl)piperazin-2-yl]ethanone Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)Br)CC(=O)C3CNCCN3C4=CC=C(C=C4)F

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)Br)CC(=O)C3CNCCN3C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22BrFN2O2/c22-15-1-6-18-14(11-15)7-10-27-21(18)12-20(26)19-13-24-8-9-25(19)17-4-2-16(23)3-5-17/h1-6,11,19,21,24H,7-10,12-13H2