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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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