3-(pyrimidin-2-ylamino)-1-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(pyrimidin-2-ylamino)-1-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(pyrimidin-2-ylamino)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: 3-(pyrimidin-2-ylamino)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(2-pyrimidylamino)-1-[4-[2-(trifluoromethyl)benzoyl]piperazino]propan-1-one Formula: C19H20F3N5O2 MolecularWeight: 407.38961

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC2=NC=CC=N2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CCNC2=NC=CC=N2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N5O2/c20-19(21,22)15-5-2-1-4-14(15)17(29)27-12-10-26(11-13-27)16(28)6-9-25-18-23-7-3-8-24-18/h1-5,7-8H,6,9-13H2,(H,23,24,25)