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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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