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

Systemtic Name: 4-(2-ethoxyphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(2-ethoxyphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 4-(2-ethoxyphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-ethoxyphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(2-ethoxyphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]butan-1-one Formula: C23H26F3N3O5 MolecularWeight: 481.46485

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H26F3N3O5/c1-2-33-20-6-3-4-7-21(20)34-15-5-8-22(30)28-13-11-27(12-14-28)18-10-9-17(23(24,25)26)16-19(18)29(31)32/h3-4,6-7,9-10,16H,2,5,8,11-15H2,1H3