3-fluoranyl-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid

Systemtic Name: 3-fluoranyl-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid Openeye Name: 3-fluoro-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoic acid CAS Name: 3-fluoro-4-[2-methyl-4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-fluoro-4-(2-methyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-fluoro-4-[2-methyl-4-(2-pyrimidyl)piperazino]benzoic acid Formula: C16H17FN4O2 MolecularWeight: 316.330183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C=C(C=C2)C(=O)O)F)C3=NC=CC=N3

Isomeric SMILES

CC1CN(CCN1C2=C(C=C(C=C2)C(=O)O)F)C3=NC=CC=N3

InChI

InChI=1S/C16H17FN4O2/c1-11-10-20(16-18-5-2-6-19-16)7-8-21(11)14-4-3-12(15(22)23)9-13(14)17/h2-6,9,11H,7-8,10H2,1H3,(H,22,23)