2-oxidanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-oxidanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3-[[4-(2-pyrimidyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C(=O)C=CC=C2)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=C(C(=O)C=CC=C2)O)C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O2/c21-14-5-2-1-4-13(15(14)22)12-19-8-10-20(11-9-19)16-17-6-3-7-18-16/h1-7H,8-12H2,(H,21,22)