N-hexyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyrimidine-2-carboxamide

Systemtic Name: N-hexyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyrimidine-2-carboxamide Openeye Name: N-hexyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrimidine-2-carboxamide CAS Name: N-hexyl-5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2-pyrimidinecarboxamide IUPAC Name: N-hexyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrimidine-2-carboxamide Traditional Name: N-hexyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyrimidine-2-carboxamide Formula: C23H28F3N5O2 MolecularWeight: 463.49593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=NC=C(C=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCCCNC(=O)C1=NC=C(C=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H28F3N5O2/c1-2-3-4-7-10-27-21(32)20-28-15-17(16-29-20)30-11-13-31(14-12-30)22(33)18-8-5-6-9-19(18)23(24,25)26/h5-6,8-9,15-16H,2-4,7,10-14H2,1H3,(H,27,32)