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

Systemtic Name: 2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]ethanoyl]-5-pentyl-cyclohexan-1-one Openeye Name: 2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]-5-pentyl-cyclohexanone CAS Name: 2-[2-[4-(5-nonyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-5-pentyl-1-cyclohexanone IUPAC Name: 2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]-5-pentylcyclohexan-1-one Traditional Name: 5-amyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C32H46N2O2 MolecularWeight: 490.71984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

InChI

InChI=1S/C32H46N2O2/c1-3-5-7-8-9-10-12-14-27-23-33-32(34-24-27)28-18-15-26(16-19-28)22-31(36)29-20-17-25(21-30(29)35)13-11-6-4-2/h15-16,18-19,23-25,29H,3-14,17,20-22H2,1-2H3