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

Systemtic Name: ethyl 4-[6-[5-(4-methoxyphenyl)pyridin-3-yl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[5-(4-methoxyphenyl)-3-pyridyl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenyl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[5-(4-methoxyphenyl)pyridin-3-yl]-2-phenylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[5-(4-methoxyphenyl)-3-pyridyl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C29H29N5O3 MolecularWeight: 495.57226

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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)OC)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O3/c1-3-37-29(35)34-15-13-33(14-16-34)27-18-26(31-28(32-27)22-7-5-4-6-8-22)24-17-23(19-30-20-24)21-9-11-25(36-2)12-10-21/h4-12,17-20H,3,13-16H2,1-2H3