(3-methoxy-4-propan-2-yloxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-methoxy-4-propan-2-yloxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-isopropoxy-3-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-methoxy-4-propan-2-yloxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-methoxy-4-propan-2-yloxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (4-isopropoxy-3-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C22H24F3N3O5 MolecularWeight: 467.43827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24F3N3O5/c1-14(2)33-19-7-4-15(12-20(19)32-3)21(29)27-10-8-26(9-11-27)17-6-5-16(22(23,24)25)13-18(17)28(30)31/h4-7,12-14H,8-11H2,1-3H3