2-(4-bromophenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-(4-bromophenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-(4-bromophenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]isoindolin-1-one CAS Name: 2-(4-bromophenyl)-6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-(4-bromophenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-(4-bromophenyl)-6-[4-(3,3-diphenylpropyl)piperazino]isoindolin-1-one Formula: C33H32BrN3O MolecularWeight: 566.53068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)C6=CC=C(C=C6)Br)C=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)C6=CC=C(C=C6)Br)C=C4

InChI

InChI=1S/C33H32BrN3O/c34-28-12-15-29(16-13-28)37-24-27-11-14-30(23-32(27)33(37)38)36-21-19-35(20-22-36)18-17-31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-16,23,31H,17-22,24H2