4-(4-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(4-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-benzylpiperazino)-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Formula: C23H23F3N4O MolecularWeight: 428.45013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O/c1-31-19-9-7-18(8-10-19)20-15-21(23(24,25)26)28-22(27-20)30-13-11-29(12-14-30)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3