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

Systemtic Name: 5-heptyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-heptyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone CAS Name: 5-heptyl-2-[2-[4-(5-hexyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-heptyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 5-heptyl-2-[2-[4-(5-hexylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C31H44N2O2 MolecularWeight: 476.69326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(C(=O)C1)C(=O)CC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

Isomeric SMILES

CCCCCCCC1CCC(C(=O)C1)C(=O)CC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

InChI

InChI=1S/C31H44N2O2/c1-3-5-7-9-11-12-24-16-19-28(29(34)20-24)30(35)21-25-14-17-27(18-15-25)31-32-22-26(23-33-31)13-10-8-6-4-2/h14-15,17-18,22-24,28H,3-13,16,19-21H2,1-2H3