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

Systemtic Name: 2-[[2-methyl-5-(4-phenylazanylphthalazin-1-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-(4-anilinophthalazin-1-yl)-2-methyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-(4-anilino-1-phthalazinyl)-2-methylphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-anilinophthalazin-1-yl)-2-methylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-(4-anilinophthalazin-1-yl)-2-methyl-benzyl]isoindoline-1,3-quinone Formula: C30H22N4O2 MolecularWeight: 470.52128

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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=CC=C4)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=C4)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C30H22N4O2/c1-19-15-16-20(17-21(19)18-34-29(35)25-13-7-8-14-26(25)30(34)36)27-23-11-5-6-12-24(23)28(33-32-27)31-22-9-3-2-4-10-22/h2-17H,18H2,1H3,(H,31,33)