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

Systemtic Name: 2-[[5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-2-methyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[4-(3-bromoanilino)-1-phthalazinyl]-2-methylphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-benzyl]isoindoline-1,3-quinone Formula: C30H21BrN4O2 MolecularWeight: 549.41734

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

InChI

InChI=1S/C30H21BrN4O2/c1-18-13-14-19(15-20(18)17-35-29(36)25-11-4-5-12-26(25)30(35)37)27-23-9-2-3-10-24(23)28(34-33-27)32-22-8-6-7-21(31)16-22/h2-16H,17H2,1H3,(H,32,34)