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

Systemtic Name: 2-(2-methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 2-(2-methylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-19-7-5-6-10-24(19)30-26(32)22-12-11-21(17-23(22)27(30)33)25(31)29-15-13-28(14-16-29)18-20-8-3-2-4-9-20/h2-12,17H,13-16,18H2,1H3