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

Systemtic Name: 6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one Openeye Name: 6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one CAS Name: 6-methyl-1-[2-(2-propyl-4-pyrimidinyl)phenyl]-1-octanone IUPAC Name: 6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one Traditional Name: 6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one Formula: C22H30N2O MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=N1)C2=CC=CC=C2C(=O)CCCCC(C)CC

Isomeric SMILES

CCCC1=NC=CC(=N1)C2=CC=CC=C2C(=O)CCCCC(C)CC

InChI

InChI=1S/C22H30N2O/c1-4-10-22-23-16-15-20(24-22)18-12-7-8-13-19(18)21(25)14-9-6-11-17(3)5-2/h7-8,12-13,15-17H,4-6,9-11,14H2,1-3H3