4-[1-[5-bromanyl-6-oxidanylidene-1-(phenylmethyl)-4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperazine-1-carboxamide

Systemtic Name: 4-[1-[5-bromanyl-6-oxidanylidene-1-(phenylmethyl)-4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperazine-1-carboxamide Openeye Name: 4-[1-[1-benzyl-5-bromo-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperazine-1-carboxamide CAS Name: 4-[1-[5-bromo-6-oxo-1-(phenylmethyl)-4-(trifluoromethyl)-2-pyrimidinyl]propyl]-1-piperazinecarboxamide IUPAC Name: 4-[1-[1-benzyl-5-bromo-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperazine-1-carboxamide Traditional Name: 4-[1-[1-benzyl-5-bromo-6-keto-4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperazine-1-carboxamide Formula: C20H23BrF3N5O2 MolecularWeight: 502.32813

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=C(C(=O)N1CC2=CC=CC=C2)Br)C(F)(F)F)N3CCN(CC3)C(=O)N

Isomeric SMILES

CCC(C1=NC(=C(C(=O)N1CC2=CC=CC=C2)Br)C(F)(F)F)N3CCN(CC3)C(=O)N

InChI

InChI=1S/C20H23BrF3N5O2/c1-2-14(27-8-10-28(11-9-27)19(25)31)17-26-16(20(22,23)24)15(21)18(30)29(17)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,25,31)