4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazino)-6-(trifluoromethyl)pyrimidine Formula: C23H23F3N4O2 MolecularWeight: 444.44953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3