1-(4-fluoranyl-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-(4-fluoranyl-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 1-(4-fluoro-2-nitrophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluoro-2-nitrophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazino]butan-1-one Formula: C21H24FN3O4 MolecularWeight: 401.431363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O4/c1-29-21-7-3-2-5-18(21)24-13-11-23(12-14-24)10-4-6-20(26)17-9-8-16(22)15-19(17)25(27)28/h2-3,5,7-9,15H,4,6,10-14H2,1H3