2-[[2-methyl-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-methyl-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-methyl-5-[4-(2-methylanilino)-1-phthalazinyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[2-methyl-5-[4-(o-toluidino)phthalazin-1-yl]benzyl]isoindoline-1,3-quinone Formula: C31H24N4O2 MolecularWeight: 484.54786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H24N4O2/c1-19-15-16-21(17-22(19)18-35-30(36)25-12-6-7-13-26(25)31(35)37)28-23-10-4-5-11-24(23)29(34-33-28)32-27-14-8-3-9-20(27)2/h3-17H,18H2,1-2H3,(H,32,34)