(E)-3-phenyl-1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]prop-2-en-1-one Formula: C29H26N4O MolecularWeight: 446.54294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O/c34-27(14-13-22-8-3-1-4-9-22)33-18-15-24(16-19-33)28-26(23-10-5-2-6-11-23)21-31-29(32-28)25-12-7-17-30-20-25/h1-14,17,20-21,24H,15-16,18-19H2/b14-13+