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

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-phenyl-butan-1-one Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-phenyl-butan-1-one CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-phenyl-1-butanone IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-phenylbutan-1-one Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-3-phenyl-butan-1-one Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3

InChI

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