1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C20H22F3N3O4 MolecularWeight: 425.40159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22F3N3O4/c1-29-18-10-14(17(26(27)28)12-19(18)30-2)13-24-6-8-25(9-7-24)16-5-3-4-15(11-16)20(21,22)23/h3-5,10-12H,6-9,13H2,1-2H3