5-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-(2-methylphenyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-(2-methylphenyl)isoindole-1,3-dione Openeye Name: 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-quinone Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C27H25N3O4/c1-18-7-3-4-8-22(18)30-26(32)20-12-11-19(17-21(20)27(30)33)25(31)29-15-13-28(14-16-29)23-9-5-6-10-24(23)34-2/h3-12,17H,13-16H2,1-2H3