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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C=CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1)C(/C=C/CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c23-17-6-3-5-16(15-17)20(25-13-10-24-11-14-25)9-4-12-26-21(27)18-7-1-2-8-19(18)22(26)28/h1-9,15,20,24H,10-14H2/b9-4+