2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-2-phenoxy-propan-1-one Formula: C21H22F3N3O4 MolecularWeight: 437.41229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C21H22F3N3O4/c1-20(2,31-16-6-4-3-5-7-16)19(28)26-12-10-25(11-13-26)17-9-8-15(21(22,23)24)14-18(17)27(29)30/h3-9,14H,10-13H2,1-2H3