4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: 4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-benzyl-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Formula: C26H28F3N5O MolecularWeight: 483.52863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C26H28F3N5O/c1-3-22-18(2)31-23(20-10-7-11-21(16-20)26(27,28)29)32-24(22)33-12-14-34(15-13-33)25(35)30-17-19-8-5-4-6-9-19/h4-11,16H,3,12-15,17H2,1-2H3,(H,30,35)