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

Systemtic Name: 5-heptyl-2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-heptyl-2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone CAS Name: 5-heptyl-2-[2-[4-(5-octyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-heptyl-2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 5-heptyl-2-[2-[4-(5-octylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C33H48N2O2 MolecularWeight: 504.74642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCCCC

InChI

InChI=1S/C33H48N2O2/c1-3-5-7-9-11-13-15-28-24-34-33(35-25-28)29-19-16-27(17-20-29)23-32(37)30-21-18-26(22-31(30)36)14-12-10-8-6-4-2/h16-17,19-20,24-26,30H,3-15,18,21-23H2,1-2H3