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

Systemtic Name: 5-heptyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-heptyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone CAS Name: 5-heptyl-2-[2-[4-(5-nonyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-heptyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 5-heptyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C34H50N2O2 MolecularWeight: 518.773

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)CCCCCCC

InChI

InChI=1S/C34H50N2O2/c1-3-5-7-9-10-12-14-16-29-25-35-34(36-26-29)30-20-17-28(18-21-30)24-33(38)31-22-19-27(23-32(31)37)15-13-11-8-6-4-2/h17-18,20-21,25-27,31H,3-16,19,22-24H2,1-2H3