methyl 2-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F

InChI

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