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

Systemtic Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(4-fluorophenyl)piperazino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C22H22FN3O3 MolecularWeight: 395.426783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c23-16-7-9-17(10-8-16)24-12-14-25(15-13-24)20(27)6-3-11-26-21(28)18-4-1-2-5-19(18)22(26)29/h1-2,4-5,7-10H,3,6,11-15H2