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

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

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c31-25(29-15-13-28(14-16-29)18-20-7-3-1-4-8-20)22-11-12-23-24(17-22)27(33)30(26(23)32)19-21-9-5-2-6-10-21/h1-12,17H,13-16,18-19H2