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

Systemtic Name: 4-(4-ethanoylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 4-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]butan-1-one Formula: C23H24F3N3O5 MolecularWeight: 479.44897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3N3O5/c1-16(30)17-4-7-19(8-5-17)34-14-2-3-22(31)28-12-10-27(11-13-28)20-9-6-18(23(24,25)26)15-21(20)29(32)33/h4-9,15H,2-3,10-14H2,1H3