ethyl 4-[6-(2-fluorophenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(2-fluorophenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(2-fluorophenyl)-2-(3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(2-fluorophenyl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(2-fluorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(2-fluorophenyl)-2-(3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3F)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3F)C4=CN=CC=C4

InChI

InChI=1S/C22H22FN5O2/c1-2-30-22(29)28-12-10-27(11-13-28)20-14-19(17-7-3-4-8-18(17)23)25-21(26-20)16-6-5-9-24-15-16/h3-9,14-15H,2,10-13H2,1H3