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

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

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O2/c1-3-4-5-6-7-8-21-17-27-26(28-18-21)22-12-10-20(11-13-22)16-25(30)23-14-9-19(2)15-24(23)29/h10-13,17-19,23H,3-9,14-16H2,1-2H3