3-phenoxy-1-[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-phenoxy-1-[(3S)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-phenoxy-1-[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]propan-1-one CAS Name: 3-phenoxy-1-[(3S)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-phenoxy-1-[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-phenoxy-1-[(3S)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidino]propan-1-one Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCOC2=CC=CC=C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCOC2=CC=CC=C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H28N4O2/c34-27(15-19-35-25-11-5-2-6-12-25)33-18-7-10-24(21-33)28-26(22-8-3-1-4-9-22)20-31-29(32-28)23-13-16-30-17-14-23/h1-6,8-9,11-14,16-17,20,24H,7,10,15,18-19,21H2/t24-/m0/s1