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

Systemtic Name: 2-[[3-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-oxidanyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-hydroxy-3-methyl-5-[4-(m-tolyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-hydroxy-3-methyl-5-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-hydroxy-3-methyl-5-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-hydroxy-3-methyl-5-[4-(m-tolyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3O)C)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3O)C)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27N3O4/c1-18-6-5-7-21(14-18)29-10-12-30(13-11-29)26(33)24-16-20(15-19(2)25(24)32)17-31-27(34)22-8-3-4-9-23(22)28(31)35/h3-9,14-16,32H,10-13,17H2,1-2H3