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

Systemtic Name: 3-(4-methylphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-3-(p-tolyl)propan-1-one Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O3/c1-15-2-4-16(5-3-15)6-9-20(28)26-12-10-25(11-13-26)18-8-7-17(21(22,23)24)14-19(18)27(29)30/h2-5,7-8,14H,6,9-13H2,1H3