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

Systemtic Name: 3-(3-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(3-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 3-(3-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-methylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(3-methylphenoxy)-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:

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

Isomeric SMILES

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

InChI

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