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

Systemtic Name: 3-methyl-1-[4-(5-nonylpyrazin-2-yl)phenyl]pentan-1-one Openeye Name: 3-methyl-1-[4-(5-nonylpyrazin-2-yl)phenyl]pentan-1-one CAS Name: 3-methyl-1-[4-(5-nonyl-2-pyrazinyl)phenyl]-1-pentanone IUPAC Name: 3-methyl-1-[4-(5-nonylpyrazin-2-yl)phenyl]pentan-1-one Traditional Name: 3-methyl-1-[4-(5-nonylpyrazin-2-yl)phenyl]pentan-1-one Formula: C25H36N2O MolecularWeight: 380.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)CC(C)CC

InChI

InChI=1S/C25H36N2O/c1-4-6-7-8-9-10-11-12-23-18-27-24(19-26-23)21-13-15-22(16-14-21)25(28)17-20(3)5-2/h13-16,18-20H,4-12,17H2,1-3H3