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

Systemtic Name: 5-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)isoindole-1,3-dione Openeye Name: 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-(4-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)isoindole-1,3-dione Traditional Name: 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(p-tolyl)isoindoline-1,3-quinone Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H22ClN3O3/c1-17-2-7-21(8-3-17)30-25(32)22-11-4-18(16-23(22)26(30)33)24(31)29-14-12-28(13-15-29)20-9-5-19(27)6-10-20/h2-11,16H,12-15H2,1H3