4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-4-ol

Systemtic Name: 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-4-ol Openeye Name: 4-[(3-phenylisoxazol-5-yl)methyl]-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-4-ol CAS Name: 4-[(3-phenyl-5-isoxazolyl)methyl]-1-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-4-piperidinol IUPAC Name: 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-4-ol Traditional Name: 4-[(3-phenylisoxazol-5-yl)methyl]-1-[4-[2-(5-pyrimidyl)ethynyl]benzyl]piperidin-4-ol Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC(=NO2)C3=CC=CC=C3)O)CC4=CC=C(C=C4)C#CC5=CN=CN=C5

Isomeric SMILES

C1CN(CCC1(CC2=CC(=NO2)C3=CC=CC=C3)O)CC4=CC=C(C=C4)C#CC5=CN=CN=C5

InChI

InChI=1S/C28H26N4O2/c33-28(17-26-16-27(31-34-26)25-4-2-1-3-5-25)12-14-32(15-13-28)20-23-9-6-22(7-10-23)8-11-24-18-29-21-30-19-24/h1-7,9-10,16,18-19,21,33H,12-15,17,20H2