4-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one

Systemtic Name: 4-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one Openeye Name: 4-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one CAS Name: 4-(5-octyl-2-pyrimidinyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one Traditional Name: 4-(5-octylpyrimidin-2-yl)cyclohexa-2,4-dien-1-one Formula: C18H24N2O MolecularWeight: 284.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CCC(=O)C=C2

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CCC(=O)C=C2

InChI

InChI=1S/C18H24N2O/c1-2-3-4-5-6-7-8-15-13-19-18(20-14-15)16-9-11-17(21)12-10-16/h9-11,13-14H,2-8,12H2,1H3