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

Systemtic Name: 2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]ethanoyl]-5-pentyl-cyclohexan-1-one Openeye Name: 2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]acetyl]-5-pentyl-cyclohexanone CAS Name: 2-[2-[4-(5-heptyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-5-pentyl-1-cyclohexanone IUPAC Name: 2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]acetyl]-5-pentylcyclohexan-1-one Traditional Name: 5-amyl-2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C30H42N2O2 MolecularWeight: 462.66668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

InChI

InChI=1S/C30H42N2O2/c1-3-5-7-8-10-12-25-21-31-30(32-22-25)26-16-13-24(14-17-26)20-29(34)27-18-15-23(19-28(27)33)11-9-6-4-2/h13-14,16-17,21-23,27H,3-12,15,18-20H2,1-2H3