1-phenoxy-3-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-phenoxy-3-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]propan-2-ol Openeye Name: 1-phenoxy-3-[4-(8-pyrimidin-5-yl-2-quinolyl)piperazin-1-yl]propan-2-ol CAS Name: 1-phenoxy-3-[4-[8-(5-pyrimidinyl)-2-quinolinyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-phenoxy-3-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]propan-2-ol Traditional Name: 1-phenoxy-3-[4-[8-(5-pyrimidyl)-2-quinolyl]piperazino]propan-2-ol Formula: C26H27N5O2 MolecularWeight: 441.52488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=NC4=C(C=CC=C4C5=CN=CN=C5)C=C3

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=NC4=C(C=CC=C4C5=CN=CN=C5)C=C3

InChI

InChI=1S/C26H27N5O2/c32-22(18-33-23-6-2-1-3-7-23)17-30-11-13-31(14-12-30)25-10-9-20-5-4-8-24(26(20)29-25)21-15-27-19-28-16-21/h1-10,15-16,19,22,32H,11-14,17-18H2