(2S)-4-[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-piperazine-1-carboxylic acid

Systemtic Name: (2S)-4-[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-piperazine-1-carboxylic acid Openeye Name: (2S)-4-[6-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-piperazine-1-carboxylic acid CAS Name: (2S)-4-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1-piperazinecarboxylic acid IUPAC Name: (2S)-4-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylpiperazine-1-carboxylic acid Traditional Name: (2S)-4-[6-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-piperazine-1-carboxylic acid Formula: C12H13ClF3N3O2 MolecularWeight: 323.69873

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)O)C2=NC(=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)O)C2=NC(=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C12H13ClF3N3O2/c1-7-6-18(4-5-19(7)11(20)21)9-3-2-8(10(13)17-9)12(14,15)16/h2-3,7H,4-6H2,1H3,(H,20,21)/t7-/m0/s1