6-methyl-1-[2-(4-pentylpyrimidin-2-yl)phenyl]octan-1-one

Systemtic Name: 6-methyl-1-[2-(4-pentylpyrimidin-2-yl)phenyl]octan-1-one Openeye Name: 6-methyl-1-[2-(4-pentylpyrimidin-2-yl)phenyl]octan-1-one CAS Name: 6-methyl-1-[2-(4-pentyl-2-pyrimidinyl)phenyl]-1-octanone IUPAC Name: 6-methyl-1-[2-(4-pentylpyrimidin-2-yl)phenyl]octan-1-one Traditional Name: 1-[2-(4-amylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one Formula: C24H34N2O MolecularWeight: 366.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

InChI

InChI=1S/C24H34N2O/c1-4-6-7-13-20-17-18-25-24(26-20)22-15-10-9-14-21(22)23(27)16-11-8-12-19(3)5-2/h9-10,14-15,17-19H,4-8,11-13,16H2,1-3H3