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

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O3/c27-20-7-4-8-21(16-20)28-11-13-29(14-12-28)24(31)19-9-10-22-23(15-19)26(33)30(25(22)32)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2