4-[4-(2-methylpropyl)phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2-methylpropyl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-(4-isobutylphenyl)-2H-phthalazin-1-one CAS Name: 4-[4-(2-methylpropyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-methylpropyl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-(4-isobutylphenyl)-2H-phthalazin-1-one Formula: C18H18N2O MolecularWeight: 278.34832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2O/c1-12(2)11-13-7-9-14(10-8-13)17-15-5-3-4-6-16(15)18(21)20-19-17/h3-10,12H,11H2,1-2H3,(H,20,21)