4-[4-[2-(4-chlorophenyl)-2-oxidanyl-ethanoyl]piperazin-1-yl]-2-methyl-isoindole-1,3-dione

Systemtic Name: 4-[4-[2-(4-chlorophenyl)-2-oxidanyl-ethanoyl]piperazin-1-yl]-2-methyl-isoindole-1,3-dione Openeye Name: 4-[4-[2-(4-chlorophenyl)-2-hydroxy-acetyl]piperazin-1-yl]-2-methyl-isoindoline-1,3-dione CAS Name: 4-[4-[2-(4-chlorophenyl)-2-hydroxy-1-oxoethyl]-1-piperazinyl]-2-methylisoindole-1,3-dione IUPAC Name: 4-[4-[2-(4-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-2-methylisoindole-1,3-dione Traditional Name: 4-[4-[2-(4-chlorophenyl)-2-hydroxy-acetyl]piperazino]-2-methyl-isoindoline-1,3-quinone Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C(=O)C(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C(=O)C(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H20ClN3O4/c1-23-19(27)15-3-2-4-16(17(15)20(23)28)24-9-11-25(12-10-24)21(29)18(26)13-5-7-14(22)8-6-13/h2-8,18,26H,9-12H2,1H3