2-[3-(phenylmethyl)piperazin-1-yl]-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine

Systemtic Name: 2-[3-(phenylmethyl)piperazin-1-yl]-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 2-(3-benzylpiperazin-1-yl)-4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 2-[3-(phenylmethyl)-1-piperazinyl]-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 2-(3-benzylpiperazin-1-yl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 2-(3-benzylpiperazino)-4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C27H24F3N5 MolecularWeight: 475.50817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=NC=C(C(=N3)C4=CC=NC=C4)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=NC=C(C(=N3)C4=CC=NC=C4)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C27H24F3N5/c28-27(29,30)22-8-4-7-21(16-22)24-17-33-26(34-25(24)20-9-11-31-12-10-20)35-14-13-32-23(18-35)15-19-5-2-1-3-6-19/h1-12,16-17,23,32H,13-15,18H2