3-(4-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propan-1-one Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N3O4/c1-31-17-6-2-15(3-7-17)4-9-20(28)26-12-10-25(11-13-26)18-8-5-16(21(22,23)24)14-19(18)27(29)30/h2-3,5-8,14H,4,9-13H2,1H3