(4-tert-butylphenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazino]methanone Formula: C22H24F3N3O3 MolecularWeight: 435.43947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N3O3/c1-21(2,3)16-6-4-15(5-7-16)20(29)27-12-10-26(11-13-27)19-9-8-17(28(30)31)14-18(19)22(23,24)25/h4-9,14H,10-13H2,1-3H3