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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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