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

Systemtic Name: methyl 3-fluoranyl-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoate Openeye Name: methyl 3-fluoro-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoate CAS Name: 3-fluoro-4-[2-methyl-4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-fluoro-4-(2-methyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoate Traditional Name: 3-fluoro-4-[2-methyl-4-(2-pyrimidyl)piperazino]benzoic acid methyl ester Formula: C17H19FN4O2 MolecularWeight: 330.356763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O2/c1-12-11-21(17-19-6-3-7-20-17)8-9-22(12)15-5-4-13(10-14(15)18)16(23)24-2/h3-7,10,12H,8-9,11H2,1-2H3