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

Systemtic Name: 2-phenethyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-phenethylisoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-phenethyl-isoindoline-1,3-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c32-26(30-17-15-29(16-18-30)20-22-9-5-2-6-10-22)23-11-12-24-25(19-23)28(34)31(27(24)33)14-13-21-7-3-1-4-8-21/h1-12,19H,13-18,20H2