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

Systemtic Name: 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(4-chlorophenyl)piperazino]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3/c22-15-5-7-16(8-6-15)24-11-9-23(10-12-24)13-17(26)14-25-20(27)18-3-1-2-4-19(18)21(25)28/h1-8,17,26H,9-14H2