1-[3-fluoranyl-4-[4-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(5-nitro-2-pyrrolidin-1-yl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(5-nitro-2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(5-nitro-2-pyrrolidino-benzoyl)piperazino]phenyl]ethanone Formula: C23H25FN4O4 MolecularWeight: 440.467403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4)F

InChI

InChI=1S/C23H25FN4O4/c1-16(29)17-4-6-22(20(24)14-17)26-10-12-27(13-11-26)23(30)19-15-18(28(31)32)5-7-21(19)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3