ethyl 4-[6-[5-(4-fluorophenyl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[5-(4-fluorophenyl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[5-(4-fluorophenyl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[5-(4-fluorophenyl)pyridin-3-yl]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[5-(4-fluorophenyl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H24FN5O2 MolecularWeight: 421.467363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN5O2/c1-3-31-23(30)29-10-8-28(9-11-29)22-13-21(26-16(2)27-22)19-12-18(14-25-15-19)17-4-6-20(24)7-5-17/h4-7,12-15H,3,8-11H2,1-2H3