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

Systemtic Name: ethyl 4-[6-(4-fluorophenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-fluorophenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-fluorophenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-fluorophenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-fluorophenyl)-2-(4-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=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

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