1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]butan-1-one Formula: C20H29FN4O3 MolecularWeight: 392.467663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCCC3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCCC3

InChI

InChI=1S/C20H29FN4O3/c1-2-7-20(26)24-12-10-23(11-13-24)18-15-17(16(21)14-19(18)25(27)28)22-8-5-3-4-6-9-22/h14-15H,2-13H2,1H3