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

Systemtic Name: 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(m-tolylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(3-methylbenzyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c1-20-6-5-9-22(16-20)18-29-12-14-30(15-13-29)26(32)23-10-11-24-25(17-23)28(34)31(27(24)33)19-21-7-3-2-4-8-21/h2-11,16-17H,12-15,18-19H2,1H3