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

Systemtic Name: 2-[[5-[4-[(4-methoxyphenyl)amino]phthalazin-1-yl]-2-methyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[4-(4-methoxyanilino)phthalazin-1-yl]-2-methyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[4-(4-methoxyanilino)-1-phthalazinyl]-2-methylphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[4-(4-methoxyanilino)phthalazin-1-yl]-2-methylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[2-methyl-5-[4-(p-anisidino)phthalazin-1-yl]benzyl]isoindoline-1,3-quinone Formula: C31H24N4O3 MolecularWeight: 500.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H24N4O3/c1-19-11-12-20(17-21(19)18-35-30(36)26-9-5-6-10-27(26)31(35)37)28-24-7-3-4-8-25(24)29(34-33-28)32-22-13-15-23(38-2)16-14-22/h3-17H,18H2,1-2H3,(H,32,34)