2-[(E)-4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-[4-(3-chlorophenyl)-1-piperazinyl]but-2-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-[4-(3-chlorophenyl)piperazino]but-2-enyl]isoindoline-1,3-quinone Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C/C=C/CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c23-17-6-5-7-18(16-17)25-14-12-24(13-15-25)10-3-4-11-26-21(27)19-8-1-2-9-20(19)22(26)28/h1-9,16H,10-15H2/b4-3+