ethyl 4-[2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-phenyl-6-(5-phenyl-3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-phenyl-6-(5-phenyl-3-pyridinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-phenyl-6-(5-phenyl-3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CN=CC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CN=CC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c1-2-35-28(34)33-15-13-32(14-16-33)26-18-25(30-27(31-26)22-11-7-4-8-12-22)24-17-23(19-29-20-24)21-9-5-3-6-10-21/h3-12,17-20H,2,13-16H2,1H3