2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]ethanoyl]-5-pentyl-cyclohexan-1-one

Systemtic Name: 2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]ethanoyl]-5-pentyl-cyclohexan-1-one Openeye Name: 2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]acetyl]-5-pentyl-cyclohexanone CAS Name: 2-[2-[4-(5-octyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-5-pentyl-1-cyclohexanone IUPAC Name: 2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]acetyl]-5-pentylcyclohexan-1-one Traditional Name: 5-amyl-2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C31H44N2O2 MolecularWeight: 476.69326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

InChI

InChI=1S/C31H44N2O2/c1-3-5-7-8-9-11-13-26-22-32-31(33-23-26)27-17-14-25(15-18-27)21-30(35)28-19-16-24(20-29(28)34)12-10-6-4-2/h14-15,17-18,22-24,28H,3-13,16,19-21H2,1-2H3