4-(4-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(4-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 4-(4-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(4-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]butan-1-one Formula: C22H24F3N3O4 MolecularWeight: 451.43887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H24F3N3O4/c1-16-4-7-18(8-5-16)32-14-2-3-21(29)27-12-10-26(11-13-27)19-9-6-17(22(23,24)25)15-20(19)28(30)31/h4-9,15H,2-3,10-14H2,1H3