3-ethenyl-2-[2-oxidanylidene-4-(trifluoromethyl)-1H-pyrimidin-6-yl]-2-phenyl-piperazine-1-carboxylic acid

Systemtic Name: 3-ethenyl-2-[2-oxidanylidene-4-(trifluoromethyl)-1H-pyrimidin-6-yl]-2-phenyl-piperazine-1-carboxylic acid Openeye Name: 2-[2-oxo-4-(trifluoromethyl)-1H-pyrimidin-6-yl]-2-phenyl-3-vinyl-piperazine-1-carboxylic acid CAS Name: 3-ethenyl-2-[2-oxo-4-(trifluoromethyl)-1H-pyrimidin-6-yl]-2-phenyl-1-piperazinecarboxylic acid IUPAC Name: 3-ethenyl-2-[2-oxo-4-(trifluoromethyl)-1H-pyrimidin-6-yl]-2-phenylpiperazine-1-carboxylic acid Traditional Name: 2-[2-keto-4-(trifluoromethyl)-1H-pyrimidin-6-yl]-2-phenyl-3-vinyl-piperazine-1-carboxylic acid Formula: C18H17F3N4O3 MolecularWeight: 394.34779

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C(N(CCN1)C(=O)O)(C2=CC=CC=C2)C3=CC(=NC(=O)N3)C(F)(F)F

Isomeric SMILES

C=CC1C(N(CCN1)C(=O)O)(C2=CC=CC=C2)C3=CC(=NC(=O)N3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O3/c1-2-12-17(11-6-4-3-5-7-11,25(16(27)28)9-8-22-12)13-10-14(18(19,20)21)24-15(26)23-13/h2-7,10,12,22H,1,8-9H2,(H,27,28)(H,23,24,26)