3,3-dimethyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]butan-1-one Formula: C17H22F3N3O3 MolecularWeight: 373.37009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H22F3N3O3/c1-16(2,3)11-15(24)22-8-6-21(7-9-22)13-5-4-12(17(18,19)20)10-14(13)23(25)26/h4-5,10H,6-9,11H2,1-3H3