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

Systemtic Name: ethyl 4-[6-[5-(4-methylphenyl)pyridin-3-yl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-phenyl-6-[5-(p-tolyl)-3-pyridyl]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenyl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[5-(4-methylphenyl)pyridin-3-yl]-2-phenylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-phenyl-6-[5-(p-tolyl)-3-pyridyl]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C29H29N5O2 MolecularWeight: 479.57286

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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)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O2/c1-3-36-29(35)34-15-13-33(14-16-34)27-18-26(31-28(32-27)23-7-5-4-6-8-23)25-17-24(19-30-20-25)22-11-9-21(2)10-12-22/h4-12,17-20H,3,13-16H2,1-2H3