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

Systemtic Name: 2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]ethanoyl]-5-methyl-cyclohexan-1-one Openeye Name: 2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]-5-methyl-cyclohexanone CAS Name: 2-[2-[4-(5-hexyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-5-methyl-1-cyclohexanone IUPAC Name: 2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]-5-methylcyclohexan-1-one Traditional Name: 2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]-5-methyl-cyclohexanone Formula: C25H32N2O2 MolecularWeight: 392.53378

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2/c1-3-4-5-6-7-20-16-26-25(27-17-20)21-11-9-19(10-12-21)15-24(29)22-13-8-18(2)14-23(22)28/h9-12,16-18,22H,3-8,13-15H2,1-2H3