1-(4-fluorophenyl)-4-[4-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]butan-1-one dihydrochloride

Systemtic Name: 1-(4-fluorophenyl)-4-[4-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]butan-1-one dihydrochloride Openeye Name: 1-(4-fluorophenyl)-4-[4-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]butan-1-one dihydrochloride CAS Name: 1-(4-fluorophenyl)-4-[4-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]-1-piperazinyl]-1-butanone dihydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-[4-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]butan-1-one dihydrochloride Traditional Name: 1-(4-fluorophenyl)-4-[4-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]piperazino]butan-1-one dihydrochloride Formula: C23H27Cl2F4N3O4 MolecularWeight: 556.377793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCOC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCOC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C23H25F4N3O4.2ClH/c24-19-6-3-17(4-7-19)21(31)2-1-9-28-10-12-29(13-11-28)14-15-34-22-8-5-18(23(25,26)27)16-20(22)30(32)33;;/h3-8,16H,1-2,9-15H2;2*1H