3-methyl-1-[4-(5-octylpyrazin-2-yl)phenyl]pentan-1-one

Systemtic Name: 3-methyl-1-[4-(5-octylpyrazin-2-yl)phenyl]pentan-1-one Openeye Name: 3-methyl-1-[4-(5-octylpyrazin-2-yl)phenyl]pentan-1-one CAS Name: 3-methyl-1-[4-(5-octyl-2-pyrazinyl)phenyl]-1-pentanone IUPAC Name: 3-methyl-1-[4-(5-octylpyrazin-2-yl)phenyl]pentan-1-one Traditional Name: 3-methyl-1-[4-(5-octylpyrazin-2-yl)phenyl]pentan-1-one Formula: C24H34N2O MolecularWeight: 366.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

InChI

InChI=1S/C24H34N2O/c1-4-6-7-8-9-10-11-22-17-26-23(18-25-22)20-12-14-21(15-13-20)24(27)16-19(3)5-2/h12-15,17-19H,4-11,16H2,1-3H3