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

Systemtic Name: 3-methyl-1-[4-(5-undecylpyrazin-2-yl)phenyl]pentan-1-one Openeye Name: 3-methyl-1-[4-(5-undecylpyrazin-2-yl)phenyl]pentan-1-one CAS Name: 3-methyl-1-[4-(5-undecyl-2-pyrazinyl)phenyl]-1-pentanone IUPAC Name: 3-methyl-1-[4-(5-undecylpyrazin-2-yl)phenyl]pentan-1-one Traditional Name: 3-methyl-1-[4-(5-undecylpyrazin-2-yl)phenyl]pentan-1-one Formula: C27H40N2O MolecularWeight: 408.6193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

InChI

InChI=1S/C27H40N2O/c1-4-6-7-8-9-10-11-12-13-14-25-20-29-26(21-28-25)23-15-17-24(18-16-23)27(30)19-22(3)5-2/h15-18,20-22H,4-14,19H2,1-3H3