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

Systemtic Name: 3-methyl-1-[4-(5-pentylpyrazin-2-yl)phenyl]pentan-1-one Openeye Name: 3-methyl-1-[4-(5-pentylpyrazin-2-yl)phenyl]pentan-1-one CAS Name: 3-methyl-1-[4-(5-pentyl-2-pyrazinyl)phenyl]-1-pentanone IUPAC Name: 3-methyl-1-[4-(5-pentylpyrazin-2-yl)phenyl]pentan-1-one Traditional Name: 1-[4-(5-amylpyrazin-2-yl)phenyl]-3-methyl-pentan-1-one Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

Isomeric SMILES

CCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

InChI

InChI=1S/C21H28N2O/c1-4-6-7-8-19-14-23-20(15-22-19)17-9-11-18(12-10-17)21(24)13-16(3)5-2/h9-12,14-16H,4-8,13H2,1-3H3