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

Systemtic Name: 1-[2-(2-ethylpyrimidin-4-yl)phenyl]-6-methyl-octan-1-one Openeye Name: 1-[2-(2-ethylpyrimidin-4-yl)phenyl]-6-methyl-octan-1-one CAS Name: 1-[2-(2-ethyl-4-pyrimidinyl)phenyl]-6-methyl-1-octanone IUPAC Name: 1-[2-(2-ethylpyrimidin-4-yl)phenyl]-6-methyloctan-1-one Traditional Name: 1-[2-(2-ethylpyrimidin-4-yl)phenyl]-6-methyl-octan-1-one Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=N1)C2=CC=CC=C2C(=O)CCCCC(C)CC

Isomeric SMILES

CCC1=NC=CC(=N1)C2=CC=CC=C2C(=O)CCCCC(C)CC

InChI

InChI=1S/C21H28N2O/c1-4-16(3)10-6-9-13-20(24)18-12-8-7-11-17(18)19-14-15-22-21(5-2)23-19/h7-8,11-12,14-16H,4-6,9-10,13H2,1-3H3