5-bromanyl-2-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzo[e]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzo[e]isoindole-1,3-dione Openeye Name: 5-bromo-2-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzo[e]isoindole-1,3-dione CAS Name: 5-bromo-2-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzo[e]isoindole-1,3-dione IUPAC Name: 5-bromo-2-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzo[e]isoindole-1,3-dione Traditional Name: 5-bromo-2-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benz[e]isoindole-1,3-quinone Formula: C22H14BrN3O2 MolecularWeight: 432.26946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C5=CC=CC=C5C(=C4)Br

Isomeric SMILES

CC1=C(C(=NN1)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C5=CC=CC=C5C(=C4)Br

InChI

InChI=1S/C22H14BrN3O2/c1-12-20(19(25-24-12)13-7-3-2-4-8-13)26-21(27)16-11-17(23)14-9-5-6-10-15(14)18(16)22(26)28/h2-11H,1H3,(H,24,25)