1-(1-methylimidazol-4-yl)-4-(4-methyl-3-phenyl-phenyl)butan-2-one

Systemtic Name: 1-(1-methylimidazol-4-yl)-4-(4-methyl-3-phenyl-phenyl)butan-2-one Openeye Name: 1-(1-methylimidazol-4-yl)-4-(4-methyl-3-phenyl-phenyl)butan-2-one CAS Name: 1-(1-methyl-4-imidazolyl)-4-(4-methyl-3-phenylphenyl)-2-butanone IUPAC Name: 1-(1-methylimidazol-4-yl)-4-(4-methyl-3-phenylphenyl)butan-2-one Traditional Name: 1-(1-methylimidazol-4-yl)-4-(4-methyl-3-phenyl-phenyl)butan-2-one Formula: C21H22N2O MolecularWeight: 318.41218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)CC2=CN(C=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)CC2=CN(C=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O/c1-16-8-9-17(12-21(16)18-6-4-3-5-7-18)10-11-20(24)13-19-14-23(2)15-22-19/h3-9,12,14-15H,10-11,13H2,1-2H3