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

Systemtic Name: 2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]ethanoyl]-5-pentyl-cyclohexan-1-one Openeye Name: 2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]-5-pentyl-cyclohexanone CAS Name: 2-[2-[4-(5-hexyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-5-pentyl-1-cyclohexanone IUPAC Name: 2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]-5-pentylcyclohexan-1-one Traditional Name: 5-amyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCC

InChI

InChI=1S/C29H40N2O2/c1-3-5-7-9-11-24-20-30-29(31-21-24)25-15-12-23(13-16-25)19-28(33)26-17-14-22(18-27(26)32)10-8-6-4-2/h12-13,15-16,20-22,26H,3-11,14,17-19H2,1-2H3