2-methoxy-4-[[3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-4-[[3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]methyl]phenol Openeye Name: 2-methoxy-4-[[3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenol CAS Name: 2-methoxy-4-[[3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]methyl]phenol IUPAC Name: 2-methoxy-4-[[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methyl]phenol Traditional Name: 2-methoxy-4-[[3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidino]methyl]phenol Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5)O

InChI

InChI=1S/C28H28N4O2/c1-34-26-16-20(9-10-25(26)33)18-32-15-5-8-23(19-32)27-24(21-6-3-2-4-7-21)17-30-28(31-27)22-11-13-29-14-12-22/h2-4,6-7,9-14,16-17,23,33H,5,8,15,18-19H2,1H3