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

Systemtic Name: 5-ethyl-2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-ethyl-2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone CAS Name: 5-ethyl-2-[2-[4-(5-heptyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-ethyl-2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 5-ethyl-2-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2/c1-3-5-6-7-8-9-22-18-28-27(29-19-22)23-13-10-21(11-14-23)17-26(31)24-15-12-20(4-2)16-25(24)30/h10-11,13-14,18-20,24H,3-9,12,15-17H2,1-2H3