1-[4-methyl-1-(4-methylphenyl)pyrrol-3-yl]butan-2-one

Systemtic Name: 1-[4-methyl-1-(4-methylphenyl)pyrrol-3-yl]butan-2-one Openeye Name: 1-[4-methyl-1-(p-tolyl)pyrrol-3-yl]butan-2-one CAS Name: 1-[4-methyl-1-(4-methylphenyl)-3-pyrrolyl]-2-butanone IUPAC Name: 1-[4-methyl-1-(4-methylphenyl)pyrrol-3-yl]butan-2-one Traditional Name: 1-[4-methyl-1-(p-tolyl)pyrrol-3-yl]butan-2-one Formula: C16H19NO MolecularWeight: 241.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=CN(C=C1C)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)CC1=CN(C=C1C)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H19NO/c1-4-16(18)9-14-11-17(10-13(14)3)15-7-5-12(2)6-8-15/h5-8,10-11H,4,9H2,1-3H3