2-[4-chloranyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-chloranyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine CAS Name: 2-[4-chloro-3,5-bis(3-methoxyphenyl)-1-pyrazolyl]-4-phenyl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine Formula: C28H20ClF3N4O2 MolecularWeight: 536.93221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=NN2C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4)C5=CC(=CC=C5)OC)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=NN2C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4)C5=CC(=CC=C5)OC)Cl

InChI

InChI=1S/C28H20ClF3N4O2/c1-37-20-12-6-10-18(14-20)25-24(29)26(19-11-7-13-21(15-19)38-2)36(35-25)27-33-22(17-8-4-3-5-9-17)16-23(34-27)28(30,31)32/h3-16H,1-2H3