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

Systemtic Name: 5-ethyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-ethyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone CAS Name: 5-ethyl-2-[2-[4-(5-hexyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-ethyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 5-ethyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C26H34N2O2 MolecularWeight: 406.56036

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O2/c1-3-5-6-7-8-21-17-27-26(28-18-21)22-12-9-20(10-13-22)16-25(30)23-14-11-19(4-2)15-24(23)29/h9-10,12-13,17-19,23H,3-8,11,14-16H2,1-2H3