1-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one

Systemtic Name: 1-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one Openeye Name: 1-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]azepan-2-one Formula: C20H26FN3O3 MolecularWeight: 375.437143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3CCCCCC3=O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3CCCCCC3=O)F

InChI

InChI=1S/C20H26FN3O3/c1-15(25)16-6-7-18(17(21)13-16)22-9-11-23(12-10-22)20(27)14-24-8-4-2-3-5-19(24)26/h6-7,13H,2-5,8-12,14H2,1H3