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

Systemtic Name: 2-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-chlorobenzyl)piperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22ClN3O3/c23-19-8-4-1-5-16(19)15-24-11-13-25(14-12-24)20(27)9-10-26-21(28)17-6-2-3-7-18(17)22(26)29/h1-8H,9-15H2