3-[[4-methoxy-3-(4-methylphenyl)carbonyl-phenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[4-methoxy-3-(4-methylphenyl)carbonyl-phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[4-methoxy-3-(4-methylbenzoyl)phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[4-methoxy-3-[(4-methylphenyl)-oxomethyl]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[4-methoxy-3-(4-methylbenzoyl)phenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-(4-methoxy-3-p-toluoyl-benzyl)-1H-pyridazin-6-one Formula: C20H18N2O3 MolecularWeight: 334.36852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C=C3)OC

InChI

InChI=1S/C20H18N2O3/c1-13-3-6-15(7-4-13)20(24)17-12-14(5-9-18(17)25-2)11-16-8-10-19(23)22-21-16/h3-10,12H,11H2,1-2H3,(H,22,23)